Benzoic acid, 5-amino-2-chloro-, sulfate (1:1)
Basic information
- CAS
37984-73-9- Standard SMILES
O=S(=O)([O-])O.[NH3+]c1ccc(Cl)c(C(=O)O)c1- InChIKey
OTRJMQKDZHIDKW-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO6S
- Average molar mass
- 269.66 g/mol
- Monoisotopic mass
- 268.9760858
Overview
See also: 5-Amino-2-chlorobenzoic acid sulfate (preferred).
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-chloro-, sulfate (1:1)
- IUPAC
- (3-carboxy-4-chlorophenyl)azanium;hydrogen sulfate
- English name
- 5-Amino-2-chlorobenzoic acid sulfate
- Molecular formula
- C7H8ClNO6S
- Molecular weight
- 269.66
Names & synonyms
Benzoic acid, 5-amino-2-chloro-, sulfate (1:1)AI3-33427BENZOIC ACID, 5-AMINO-2-CHLORO-, HYDROGEN SULFATE5-Amino-2-chlorobenzoic acid sulfate5-amino-2-chloro-benzoicacihydrogensulfate
Database identifiers
- CAS
37984-73-9- PubChem CID
- 37878
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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