Basic information
- CAS
88-51-7- Standard SMILES
Cc1cc(S(=O)(=O)O)c(N)cc1Cl- InChIKey
VRLPHBSFRWMMPW-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO3S
- Average molar mass
- 221.66 g/mol
- Monoisotopic mass
- 220.9913418
Names & identifiers
- Preferred name
- 2-Chloro-p-toluidine-5-sulfonic acid
- IUPAC
- 2-amino-4-chloro-5-methylbenzenesulfonic acid
- English name
- 2-Amino-4-chloro-5-methylbenzenesulfonic acid
- Molecular formula
- C7H8ClNO3S
- Molecular weight
- 221.66
Names & synonyms
2-Amino-4-chloro-5-methylbenzenesulfonic acid2B acidRed 2B acidBenzenesulfonic acid, 2-amino-4-chloro-5-methyl-4-Amino-6-chlorotoluene-3-sulphonic acidPermanent Red 2B Amine2-CHLORO-P-TOLUIDINE-5-SULFONIC ACIDCCRIS 3406DTXSID2026527HSDB 5258EINECS 201-837-6UNII-9QN6JT928N
Show more names
red2bacid2B-SAEUREuene-5-suL2BAcid/4BAcidpermanentred2bamineAmino-chloro-5-methyLABOTEST-BB LT01138546brillianttoningredamine2-amino-4-chloro-5-methylbenze
BRN 2727161Kyselina 2-chlor-4-toluidin-5-sulfonova [Czech]4-Chloro-6-amino-m-toluenesulfonic acidKyselina 2-chlor-4-toluidin-5-sulfonovaDTXCID006527EC 201-837-63-14-00-02216 (Beilstein Handbook Reference)4-AMINO-6-CHLOROTOLUENE-3-SULFONIC ACID
Database identifiers
- CAS
88-51-7- PubChem CID
- 6935
- DTXSID
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
Color/FormWHITE TO BUFF POWDER
Solubility
ESSENTIALLY INSOL AS FREE ACID; SOL AS SODIUM SALT
SOL AS AMMONIUM SALT
Physical Description
CBI
White to beige solid; [HSDB] Light grey odorless microcrystalline powder; [MSDSonline]
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 163 °C · 163°C (rough estimate)
- Density
- 1.3031 · 1.3031 (rough estimate)
- vapor pressure
- 0 · 0-0Pa at 25℃
- refractive index
- 1.621 · 1.6210 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- 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 1% (2 of 198) of reports.
Warning
H315 (42.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 198 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-
Benzenesulfonic acid, 2-amino-4-chloro-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-4-chloro-5-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)
Status: Active Update: 18-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13749
Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (42.4%)
Toxicology
Toxicity DataLC (rat) > 13,000 mg/m3/4h
Chemistry & industry
Uses & manufacturing
Uses
Used as an intermediate for azo pigments; [HSDB]
INTERMEDIATE FOR AZO PIGMENTS
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesPigment
Industry UsesPigment
Formulations/PreparationsGRADES: 98.5% MIN PURITY.
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-: ACTIVE
Applications
UsesIntermediate for azo pigments.
Uses2-Amino-4-chloro-5-methylbenzenesulfonic Acid is used in method for preparing environment-friendly organic pigment for agricultural seed coating.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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