Basic information
- CAS
5855-78-7- Standard SMILES
Nc1cc(C(=O)O)c(Cl)cc1S(=O)(=O)O- InChIKey
JGSAMPZLJLDOKW-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO5S
- Average molar mass
- 251.64 g/mol
- Monoisotopic mass
- 250.9655212
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-chloro-4-sulfo-
- IUPAC
- 5-amino-2-chloro-4-sulfobenzoic acid
- English name
- C.A. acid
- Molecular formula
- C7H6ClNO5S
- Molecular weight
- 251.64
Names & synonyms
5855-78-7Benzoic acid, 5-amino-2-chloro-4-sulfo-EINECS 227-468-0DTXSID7064027RefChem:566112DTXCID40424145-amino-2-chloro-4-sulfobenzoic acidC.A. acid5-Amino-2-chloro-4-sulphobenzoic acidND8QT3CDQ9SCHEMBL537604JGSAMPZLJLDOKW-UHFFFAOYSA-N
Show more names
5-Amino-2-Chloro-4-Sulfobenzoi5-azanyl-2-chloro-4-sulfo-benzoic acid
NS00033954
Database identifiers
- CAS
5855-78-7- PubChem CID
- 79952
- DTXSID
DTXSID7064027- UNII
- ND8QT3CDQ9
- EC Number
- 227-468-0
- Nikkaji
- J168.631C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Density
- 1.81 · 1.810±0.06 g/cm3(Predicted)
- pka
- -2.17 · -2.17±0.50(Predicted)
- InChI
- InChI=1S/C7H6ClNO5S/c8-4-2-6(15(12,13)14)5(9)1-3(4)7(10)11/h1-2H,9H2,(H,10,11)(H,12,13,14)
- InChIKey
- JGSAMPZLJLDOKW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(N)=C(S(O)(=O)=O)C=C1Cl
- EPA Substance Registry System
- 5 · Benzoic acid, 5-amino-2-chloro-4-sulfo- (5855-78-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-amino-2-chloro-4-sulfo-: INACTIVE
Suppliers9 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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