Basic information
- CAS
88-53-9- Standard SMILES
Cc1cc(N)c(S(=O)(=O)O)cc1Cl- InChIKey
VYZCFAPUHSSYCC-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO3S
- Average molar mass
- 221.66 g/mol
- Monoisotopic mass
- 220.991342
Names & identifiers
- Preferred name
- C Amine
- IUPAC
- 2-amino-5-chloro-4-methylbenzenesulfonic acid
- English name
- 2-Amino-5-chloro-4-methylbenzenesulfonic acid
- Molecular formula
- C7H8ClNO3S
- Molecular weight
- 221.66
Names & synonyms
88-53-92-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACIDRed Lake C amineBenzenesulfonic acid, 2-amino-5-chloro-4-methyl-DTXSID7026528p-Toluenesulfonic acid, 2-amino-5-chloro-HNF96511X2DTXCID406528C AmineLRCARefChem:5719285-Amino-2-chlorotoluene-4-sulfonic Acid
Show more names
2 AMINO 5 CHLORINE 4 METHYL BENZENESULFONIC ACIDCLTCAcid/CltAcidC Acid, High IsomerLAKE RED C AMINE 97%C Acid, Sambo Grade SC2C Acid, Sambo Grade SC385-AMINO-2-CHLORO-4-SULFOTOLUENE
Lake Red C Amine3-Amino-6-chlorotoluene-4-sulfonic acid2-amino-5-chloro-4-methyl-benzenesulfonic acid2-amino-5-chloro-4-methylbenzene-1-sulfonic acidMFCD000439244-Chloro-m-toluidine-6-sulfonic Acid4-Chloro-5-methylaniline-2-sulfonic Acid5-Amino-2-chlorotoluene-4-sulphonic acid
Database identifiers
- CAS
88-53-9- PubChem CID
- 6936
- DTXSID
DTXSID7026528- ChEMBL
CHEMBL3182943- UNII
- HNF96511X2
- EC Number
- 201-839-7
- Nikkaji
- J4.427J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
Physical Description
CBI
Solid; [IUCLID]
Physicochemical properties
- Melting point
- 305 ° · >305°
- Boiling point
- 400 °/760mm · >400°/760mm
- Density
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- Water Solubility
- Practically insoluble in water
- pka
- -1.59 · -1.59±0.50(Predicted)
- form
- Powder
- color
- White to Light yellow to Light orange
- LogP
- -0.83 at · -0.83 at 23℃ and pH2.6-2.7
- CAS DataBase Reference
- 88 · 88-53-9(CAS DataBase Reference)
- FDA UNII
- 96511 X2 · HNF96511X2
- EPA Substance Registry System
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% (3 of 147) of reports.
Danger
H314 (26.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 2-amino-5-chloro-4-methyl-
Benzenesulfonic acid, 2-amino-5-chloro-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-5-chloro-4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 5-amino-2-chlorotoluene-4-sulphonic acid (EC: 201-839-7)
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; May cause skin sensitization; [MSDSonline]
Hazard Classes and Categories
Skin Corr. 1B (26.5%)
Serious eye damage/eye irritation - Category 2A
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Chemistry & industry
Uses & manufacturing
Uses
Used in the paint/ lacquer/varnish industry and as an intermediate; [IUCLID]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenesulfonic acid, 2-amino-5-chloro-4-methyl-: ACTIVE
Applications
Description2-Amino-5-chloro-4-methylbenzenesulfonic acid is a colorless to slightly reddish crystalline powder. The compound is obtained by chlorination of p-toluenesulfonic acid to form 3- chloro-4-methylbenzenesulfonic acid, subsequent nitration of this acid to a mixture of nitro isomers, precipitation of the 2-chloro-4-methyl-6-nitrobenzenesulfonic acid with sodium chloride solution, and, finally, Bechamp reduction of the nitro group with iron and acetic acid. The compound is used as Lake Red C and CLT Acid as a diazo component for azo dyes and azo pigments.
UsesIntermediate for azo pigments.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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