3-Amino-5-chloro-4-hydroxybenzenesulfonic acid
Basic information
- CAS
5857-94-3- Standard SMILES
Nc1cc(S(=O)(=O)O)cc(Cl)c1O- InChIKey
QGTXBWMKRGHPDD-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO4S
- Average molar mass
- 223.63 g/mol
- Monoisotopic mass
- 222.9706065
Names & identifiers
- Preferred name
- 3-Amino-5-chloro-4-hydroxybenzenesulfonic acid
- IUPAC
- 3-amino-5-chloro-4-hydroxybenzenesulfonic acid
- English name
- 6-CHLORO-2-AMINOPHENOL-4-SULFONIC ACID
- Molecular formula
- C6H6ClNO4S
- Molecular weight
- 223.63
Names & synonyms
5857-94-33-Amino-5-chloro-4-hydroxybenzenesulfonic acidBenzenesulfonic acid, 3-amino-5-chloro-4-hydroxy-UTG72D92WW3-Amino-5-chloro-4-hydroxybenzenesulphonic acidDTXSID60640321-AMINO-3-CHLORO-2-HYDROXY-5-BENZENESULFONIC ACIDRefChem:497382DTXCID8042422227-482-7METANILIC ACID, 5-CHLORO-4-HYDROXY-BRN 3285003
Show more names
5-chloro-4-hydroxymetanilicacid5-chloro-4-hydroxy-metanilicaci6-CHLORO-2-AMINOPHENOL-4-SULFONIC ACID2-Amino-6-chlorophenol-4-sulfonic acidkyselina2-chlor-6-aminofenol-4-sulfonova3-Amino-5-chlor-4-hydroxybenzolsulfonsure3-amino-5-chloro-4-hydroxybenzenesulfonicacid3-amino-5-chloro-4-hydroxy-benzenesulfonicaci3-amino-5-chloro-4-hydroxybenzenesulphonicacid3-amino-5-chloro-4-hydroxy-Benzenesulfonicacid
5-Chloro-4-hydroxymetanilic acidEINECS 227-482-7Kyselina 2-chlor-6-aminofenol-4-sulfonova [Czech]Kyselina 2-chlor-6-aminofenol-4-sulfonovaUNII-UTG72D92WW3-Amino-5-chloro-4-hydroxybenzene-1-sulfonic acidSCHEMBL6935562QGTXBWMKRGHPDD-UHFFFAOYSA-N
Database identifiers
- CAS
5857-94-3- PubChem CID
- 22133
- DTXSID
DTXSID6064032- UNII
- UTG72D92WW
- EC Number
- 227-482-7
- Nikkaji
- J53.685G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Density
- 1.518 · 1.518 (estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- -1.16 · -1.16±0.50(Predicted)
- FDA UNII
- 72 D92WW · UTG72D92WW
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3-amino-5-chloro-4-hydroxy- (5857-94-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 3-amino-5-chloro-4-hydroxybenzenesulphonic acid (EC: 227-482-7)
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3-amino-5-chloro-4-hydroxy-: INACTIVE
Applications
Uses3-Amino-5-chloro-4-hydroxybenzenesulfonic Acid is a reagent used in the synthesis of quinoline sulfonamides.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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