4-Chlorometanilic acid
Basic information
- CAS
98-36-2- Standard SMILES
Nc1cc(S(=O)(=O)O)ccc1Cl- InChIKey
XJQRCFRVWZHIPN-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO3S
- Average molar mass
- 207.64 g/mol
- Monoisotopic mass
- 206.9756919
Names & identifiers
- Preferred name
- 4-Chlorometanilic acid
- IUPAC
- 3-amino-4-chlorobenzenesulfonic acid
- English name
- 3-Amino-4-chlorobenzenesulfonic acid
- Molecular formula
- C6H6ClNO3S
- Molecular weight
- 207.63
Names & synonyms
3-Amino-4-chlorobenzenesulfonic acid98-36-24-Chlorometanilic acidBenzenesulfonic acid, 3-amino-4-chloro-Metanilic acid, 4-chloro-3-Amino-4-chlorobenzenesulphonic acid4MB9E88J9WEINECS 202-661-2NSC 59702NSC-59702DTXSID4059170BENZENESULPHONIC ACID, 3-AMINO-4-CHLORO-
Show more names
TIMTEC-BB SBB0034746-CHLORO METANILIC ACID2-Chloro-5-Sulfoanilline2-Chloroaniline-5-sulfonuc3-Amino-4-chlorosulfobenzene2-Chloroaniline-5-sulfonicAci3-amino-4-chloro-benzenesulfonicaci2-Chloroaniline-5-sulfonic Acid >
RefChem:521996DTXCID7049053Metanilic acid, 4-chloro-(8CI)202-661-22-Chloroaniline-5-sulfonic acidMFCD000357643-Amino-4-chloro-benzenesulfonic acid3-amino-4-chlorobenzene-1-sulfonic acid
Database identifiers
- CAS
98-36-2- PubChem CID
- 66817
- DTXSID
DTXSID4059170- UNII
- 4MB9E88J9W
- EC Number
- 202-661-2
- Nikkaji
- J4.951D
Properties
Computed structural properties
- XLogP
- 1
- 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
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Density
- 1.642 · 1.642±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -1.41 · -1.41±0.50(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 98 · 98-36-2(CAS DataBase Reference)
- FDA UNII
- 4 MB9E88J9W · 4MB9E88J9W
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3-amino-4-chloro- (98-36-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 InformationChemical: Benzenesulfonic acid, 3-amino-4-chloro-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921.42.9000
- risk_code
- 36/37/38-43-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3-amino-4-chloro-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
Definition3-Amino-4-chlorobenzenesulfonic acid is obtained from 4-chloro-3-nitrobenzenesulfonic acid by reduction; the compound is used for the production of azo dyes.
Related reactions
2 records
Compound notes
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