Organoheterocyclic compounds

Organoheterocyclic compounds


























































































































Caffeine, 99.7%, Thermo Scientific Chemicals
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
PubChem CID | 2519 |
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CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
MDL Number | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
3-Aminophthalhydrazide, 98%, Thermo Scientific Chemicals
CAS: 521-31-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Synonym: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
PubChem CID | 10638 |
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CAS | 521-31-3 |
Molecular Weight (g/mol) | 177.163 |
MDL Number | MFCD00006890 |
SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
Synonym | luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide |
IUPAC Name | 5-amino-2,3-dihydrophthalazine-1,4-dione |
InChI Key | HWYHZTIRURJOHG-UHFFFAOYSA-N |
Molecular Formula | C8H7N3O2 |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
PubChem CID | 6202 |
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CAS | 67-03-8 |
Molecular Weight (g/mol) | 337.26 |
ChEBI | CHEBI:49105 |
MDL Number | MFCD00012780 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Molecular Formula | C12H17ClN4OS·HCl |
Vitamin B12, 98+% (dry wt basis), Thermo Scientific Chemicals
CAS: 68-19-9 Molecular Formula: C63H89CoN14O14P Molecular Weight (g/mol): 1356.396 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
PubChem CID | 129893524 |
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CAS | 68-19-9 |
Molecular Weight (g/mol) | 1356.396 |
MDL Number | MFCD00151092 |
SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] |
Synonym | vitamin b12 |
IUPAC Name | cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- |
InChI Key | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
Molecular Formula | C63H89CoN14O14P |
Serotonin hydrochloride, 98%, Thermo Scientific Chemicals
CAS: 153-98-0 Molecular Formula: C10H13ClN2O Molecular Weight (g/mol): 212.677 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
PubChem CID | 160436 |
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CAS | 153-98-0 |
Molecular Weight (g/mol) | 212.677 |
MDL Number | MFCD00012686 |
SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN.Cl |
Synonym | serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride |
IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride |
InChI Key | MDIGAZPGKJFIAH-UHFFFAOYSA-N |
Molecular Formula | C10H13ClN2O |
1,4-Butanediol diglycidyl ether, 96%, Thermo Scientific Chemicals
CAS: 2425-79-8 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00005146 InChI Key: SHKUUQIDMUMQQK-UHFFFAOYNA-N Synonym: 1,4-butanediol diglycidyl ether,1,4-diglycidyloxybutane,1,4-bis glycidyloxy butane,butanediol diglycidyl ether,araldit dy 026,1,4-butane diglycidyl ether,grilonit rv 1806,1,4-diglycidloxybutane,chs-rr2,1,4-bis 2,3-epoxypropoxy butane PubChem CID: 17046 IUPAC Name: 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane SMILES: C(CCOCC1CO1)COCC1CO1

PubChem CID | 17046 |
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CAS | 2425-79-8 |
Molecular Weight (g/mol) | 202.25 |
MDL Number | MFCD00005146 |
SMILES | C(CCOCC1CO1)COCC1CO1 |
Synonym | 1,4-butanediol diglycidyl ether,1,4-diglycidyloxybutane,1,4-bis glycidyloxy butane,butanediol diglycidyl ether,araldit dy 026,1,4-butane diglycidyl ether,grilonit rv 1806,1,4-diglycidloxybutane,chs-rr2,1,4-bis 2,3-epoxypropoxy butane |
IUPAC Name | 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane |
InChI Key | SHKUUQIDMUMQQK-UHFFFAOYNA-N |
Molecular Formula | C10H18O4 |
Disuccinimidyl glutarate, 97%, Thermo Scientific Chemicals
CAS: 79642-50-5 Molecular Formula: C13H14N2O8 Molecular Weight (g/mol): 326.26 MDL Number: MFCD00153597 InChI Key: LNQHREYHFRFJAU-UHFFFAOYSA-N Synonym: disuccinimidyl glutarate,di n-succinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl pentanedioate,pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester,dsg crosslinker,glutaric acid disuccinimidyl ester,di n-hydroxysuccinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl glutarate,di n-succinimidyl glutarate chn PubChem CID: 4432628 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) pentanedioate SMILES: O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

PubChem CID | 4432628 |
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CAS | 79642-50-5 |
Molecular Weight (g/mol) | 326.26 |
MDL Number | MFCD00153597 |
SMILES | O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O |
Synonym | disuccinimidyl glutarate,di n-succinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl pentanedioate,pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester,dsg crosslinker,glutaric acid disuccinimidyl ester,di n-hydroxysuccinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl glutarate,di n-succinimidyl glutarate chn |
IUPAC Name | bis(2,5-dioxopyrrolidin-1-yl) pentanedioate |
InChI Key | LNQHREYHFRFJAU-UHFFFAOYSA-N |
Molecular Formula | C13H14N2O8 |
IBA Lifesciences Biotin
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Molecular Weight (g/mol) | 122.02 |
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CAS Min % | 92.49 |
Chemical Name or Material | 9-Borabicyclo[3.3.1]nonane |
SMILES | [B]1C2CCCC1CCC2 |
InChI Key | AMKGKYQBASDDJB-UHFFFAOYSA-N |
Density | 0.8840g/mL |
PubChem CID | 6327450 |
Fieser | 02,31; 03,24; 04,41; 05,46; 06,62; 07,29; 08,47; 09,57; 10,48; 11,68; 13,92; 14,52; 15,43; 17,49; 01,732; 04,356 |
CAS | 109-99-9 |
Health Hazard 3 | GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. Handle under inert gas. Protect from moisture |
MDL Number | MFCD00074742 |
Health Hazard 2 | GHS H Statement In contact with water releases flammable gases. Highly flammable liquid and vapor. Causes severe skin burns and eye damage. May cause respiratory irritation. Suspected of causing cancer. May form explo |
Solubility Information | Solubility in water: reacts |
Flash Point | −17°C |
Health Hazard 1 | GHS Signal Word: Danger |
Synonym | 9-borabicyclo 3.3.1 nonane,9-borabicyclo 3.3.1 nonan,9-borabicyclo 3,3,1 nonane,9$l^ 2-borabicyclo 3.3.1 nonane,1s,5s-9-borabicyclo 3.3.1 nonane,monomer; 21205-91-4 dimer,9-borabicyclo 3.3.1 nonane,9-bbn,intetrahydrofuran |
IUPAC Name | 9$l^{2}-borabicyclo[3.3.1]nonane |
Molecular Formula | C8H15B |
EINECS Number | 206-000-9 |
Formula Weight | 122.02 |
Specific Gravity | 0.884 |
CAS Max % | 93.86 |
Thiophene-2-thiol, contains dimer, 97% as monomer, Thermo Scientific Chemicals
CAS: 7774-74-5 Molecular Formula: C4H4S2 Molecular Weight (g/mol): 116.196 MDL Number: MFCD00051666 InChI Key: SWEDAZLCYJDAGW-UHFFFAOYSA-N Synonym: 2-mercaptothiophene,2-thiophenethiol,thiophenethiol,2-thienyl mercaptan,2-thienylthiol,2-thiophene thiol,unii-f3lb1437xq,2-sulphanylthiophene,alpha-thienyl mercaptan,thiophene thiol PubChem CID: 522674 IUPAC Name: thiophene-2-thiol SMILES: C1=CSC(=C1)S
PubChem CID | 522674 |
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CAS | 7774-74-5 |
Molecular Weight (g/mol) | 116.196 |
MDL Number | MFCD00051666 |
SMILES | C1=CSC(=C1)S |
Synonym | 2-mercaptothiophene,2-thiophenethiol,thiophenethiol,2-thienyl mercaptan,2-thienylthiol,2-thiophene thiol,unii-f3lb1437xq,2-sulphanylthiophene,alpha-thienyl mercaptan,thiophene thiol |
IUPAC Name | thiophene-2-thiol |
InChI Key | SWEDAZLCYJDAGW-UHFFFAOYSA-N |
Molecular Formula | C4H4S2 |
Furfuryl alcohol, 98%, Thermo Scientific Chemicals
CAS: 98-00-0 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO
PubChem CID | 7361 |
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CAS | 98-00-0 |
Molecular Weight (g/mol) | 98.101 |
ChEBI | CHEBI:207496 |
MDL Number | MFCD00003252 |
SMILES | C1=COC(=C1)CO |
Synonym | furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran |
IUPAC Name | furan-2-ylmethanol |
InChI Key | XPFVYQJUAUNWIW-UHFFFAOYSA-N |
Molecular Formula | C5H6O2 |
(-)-Cotinine, 98%, Thermo Scientific Chemicals
CAS: 486-56-6 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD00077696 InChI Key: UIKROCXWUNQSPJ-VIFPVBQESA-N Synonym: cotinine,--cotinine,cotinina,cotininum,cotinine-,s-cotinine,s---cotinine,unii-k5161x06ll,s-1-methyl-5-3-pyridinyl-2-pyrrolidinone,2-pyrrolidinone, 1-methyl-5-3-pyridinyl-, 5s PubChem CID: 854019 ChEBI: CHEBI:68641 IUPAC Name: (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one SMILES: CN1C(CCC1=O)C2=CN=CC=C2
PubChem CID | 854019 |
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CAS | 486-56-6 |
Molecular Weight (g/mol) | 176.219 |
ChEBI | CHEBI:68641 |
MDL Number | MFCD00077696 |
SMILES | CN1C(CCC1=O)C2=CN=CC=C2 |
Synonym | cotinine,--cotinine,cotinina,cotininum,cotinine-,s-cotinine,s---cotinine,unii-k5161x06ll,s-1-methyl-5-3-pyridinyl-2-pyrrolidinone,2-pyrrolidinone, 1-methyl-5-3-pyridinyl-, 5s |
IUPAC Name | (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one |
InChI Key | UIKROCXWUNQSPJ-VIFPVBQESA-N |
Molecular Formula | C10H12N2O |
1,3-Benzodioxole, 99%, Thermo Scientific Chemicals
CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00005818 InChI Key: FTNJQNQLEGKTGD-UHFFFAOYSA-N Synonym: 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene PubChem CID: 9229 ChEBI: CHEBI:38732 IUPAC Name: 1,3-benzodioxole SMILES: C1OC2=CC=CC=C2O1
PubChem CID | 9229 |
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CAS | 274-09-9 |
Molecular Weight (g/mol) | 122.123 |
ChEBI | CHEBI:38732 |
MDL Number | MFCD00005818 |
SMILES | C1OC2=CC=CC=C2O1 |
Synonym | 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene |
IUPAC Name | 1,3-benzodioxole |
InChI Key | FTNJQNQLEGKTGD-UHFFFAOYSA-N |
Molecular Formula | C7H6O2 |
3-(1-Pyridinio)-1-propanesulfonate, 99%, Thermo Scientific Chemicals
CAS: 15471-17-7 Molecular Formula: C8H11NO3S Molecular Weight (g/mol): 201.24 MDL Number: MFCD00064468 InChI Key: REEBJQTUIJTGAL-UHFFFAOYSA-N Synonym: 3-pyridin-1-ium-1-yl propane-1-sulfonate,ndsb-201,1-3-sulphonatopropyl pyridinium,unii-qn4i6ai9ek,3-1-pyridinio-1-propanesulfonate,1-pyridiniumpropane-3-sulfonate,qn4i6ai9ek,1-3-sulfopropyl pyridinium hydroxide, inner salt,pyridinium, 1-3-sulfopropyl-, inner salt,1-3-sulfonatopropyl pyridin-1-ium PubChem CID: 84929 IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate SMILES: [O-]S(=O)(=O)CCC[N+]1=CC=CC=C1
PubChem CID | 84929 |
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CAS | 15471-17-7 |
Molecular Weight (g/mol) | 201.24 |
MDL Number | MFCD00064468 |
SMILES | [O-]S(=O)(=O)CCC[N+]1=CC=CC=C1 |
Synonym | 3-pyridin-1-ium-1-yl propane-1-sulfonate,ndsb-201,1-3-sulphonatopropyl pyridinium,unii-qn4i6ai9ek,3-1-pyridinio-1-propanesulfonate,1-pyridiniumpropane-3-sulfonate,qn4i6ai9ek,1-3-sulfopropyl pyridinium hydroxide, inner salt,pyridinium, 1-3-sulfopropyl-, inner salt,1-3-sulfonatopropyl pyridin-1-ium |
IUPAC Name | 3-pyridin-1-ium-1-ylpropane-1-sulfonate |
InChI Key | REEBJQTUIJTGAL-UHFFFAOYSA-N |
Molecular Formula | C8H11NO3S |
Dichloroisocyanuric acid sodium salt, 98%, Thermo Scientific Chemicals
CAS: 2893-78-9 Molecular Formula: C3HCl2N3NaO3 Molecular Weight (g/mol): 220.949 MDL Number: MFCD00006036 InChI Key: UNWRHVZXVVTASG-UHFFFAOYSA-N Synonym: sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt PubChem CID: 86657659 IUPAC Name: 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium SMILES: C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na]
PubChem CID | 86657659 |
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CAS | 2893-78-9 |
Molecular Weight (g/mol) | 220.949 |
MDL Number | MFCD00006036 |
SMILES | C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na] |
Synonym | sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt |
IUPAC Name | 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium |
InChI Key | UNWRHVZXVVTASG-UHFFFAOYSA-N |
Molecular Formula | C3HCl2N3NaO3 |