3,5-Diamino-4-chlorobenzenesulfonic acid
Basic information
- CAS
7057-68-3- Standard SMILES
Nc1cc(S(=O)(=O)O)cc(N)c1Cl- InChIKey
PIJNMVNHBRSTEJ-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O3S
- Average molar mass
- 222.65 g/mol
- Monoisotopic mass
- 221.986591
Names & identifiers
- Preferred name
- 3,5-Diamino-4-chlorobenzenesulfonic acid
- IUPAC
- 3,5-diamino-4-chlorobenzenesulfonic acid
- English name
- 3,5-diamino-4-chlorobenzenesulphonic acid
- Molecular formula
- C6H7ClN2O3S
- Molecular weight
- 222.64938
Names & synonyms
3,5-diamino-4-chlorobenzenesulfonic acidBenzenesulfonic acid, 3,5-diamino-4-chloro-7057-68-33,5-Diamino-4-chlorobenzenesulphonic acidA53UZ3HDW43,5-Diamino-4-chlorobenzene-1-sulfonic acidEINECS 230-339-1DTXSID90645523,5-DIAMINO-4-CHLOROBENZENE-1-SULPHONIC ACIDBENZENESULPHONIC ACID, 3,5-DIAMINO-4-CHLORO-RefChem:486598DTXCID5046699
Show more names
3,5-Diamino-4-chlorobenzenesulfonic
230-339-1UNII-A53UZ3HDW4SCHEMBL9070253PIJNMVNHBRSTEJ-UHFFFAOYSA-NNS00037067
Database identifiers
- CAS
7057-68-3- PubChem CID
- 81508
- DTXSID
DTXSID9064552- UNII
- A53UZ3HDW4
- EC Number
- 230-339-1
- Nikkaji
- J227.352G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- FDA UNII
- 53 UZ3HDW4 · A53UZ3HDW4
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3,5-diamino-4-chloro- (7057-68-3)
- 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 InformationBenzenesulfonic acid, 3,5-diamino-4-chloro-: INACTIVE
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Related reactions
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Compound notes
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