Basic information
- CAS
88-43-7- Standard SMILES
Nc1ccc(Cl)c(S(=O)(=O)O)c1- InChIKey
VPXCXBHLKDPWQV-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO3S
- Average molar mass
- 207.64 g/mol
- Monoisotopic mass
- 206.9756919
Names & identifiers
- Preferred name
- 6-Chlorometanilic acid
- IUPAC
- 5-amino-2-chlorobenzenesulfonic acid
- English name
- 4-Chloroaniline-3-sulfonic acid
- Molecular formula
- C6H6ClNO3S
- Molecular weight
- 207.63
Names & synonyms
88-43-75-Amino-2-chlorobenzenesulfonic Acid4-Chloroaniline-3-sulfonic acid6-CHLOROMETANILIC ACIDBenzenesulfonic acid, 5-amino-2-chloro-4-Chloro-3-sulfoanilineUNII-P6W5Q8ZPN53-amino-6-chlorobenzenesulfonic acidHSDB 2566EINECS 201-830-8NSC 15346NSC-15346
Show more names
6-CHLORO METANILICp-ChlorometanilicacidCHLORANILINE-3-SULFONIC ACIDp-chloroaniline-m-sulfonicacid4-chloroaniline-3-sulphonic acid5-Amino-2-chlorobenzensulfonicacid2-Chloro-5-aminobenzenesulfonicacid5-amino-2-chloro-benzenesulfonicaci
1-Amino-4-chlorobenzene-3-sulfonic acidAI3-28528DTXSID20589684-CHLOROANILINE-3-SULFONIC ACID [HSDB]Metanilic acid, 6chloroRefChem:104442pChloroanilinemsulfonic acid4Chloroaniline3sulfonic acid
Database identifiers
- CAS
88-43-7- PubChem CID
- 6933
- DTXSID
DTXSID2058968- UNII
- P6W5Q8ZPN5
- EC Number
- 201-830-8
- Nikkaji
- J4.293E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
Color/FormWHITE TO LIGHT-GREY POWDER
Vapor Pressure0.00000004 [mmHg]
Physical DescriptionWhite to light-gray solid; [HSDB]
Physicochemical properties
- Melting point
- 280 ℃ · 280℃
- Boiling point
- 290 ℃[at · 290℃[at 101 325 Pa]
- Density
- 1.3501 · 1.3501 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- -1.7 · -1.70±0.42(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H317 (92.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 5-amino-2-chloro-
REACH registered substance: 5-amino-2-chlorobenzenesulphonic acid (EC: 201-830-8)
Hazards SummaryMay cause irritation; May cause skin sensitization; [MSDSonline]
Hazard Classes and CategoriesSkin Sens. 1 (92.9%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921.42.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H317-H335-H315-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Uses
Used as a chemical intermediate for Pigment Red 58 and other chemicals; [HSDB]
INTERMEDIATE
CHEM INT FOR PIGMENT RED 58
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) 2X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1975) 1.56X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production(1972) 2.72X10+6 GRAMS
Methods of ManufacturingREDUCTION OF 6-CHLORO-3-NITROBENZENESULFONIC ACID
General Manufacturing InformationBenzenesulfonic acid, 5-amino-2-chloro-: ACTIVE
Applications
Uses4-CHLOROANILINE-3-SULFONIC ACID is used as a dye intermediate, especially for reactive dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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