Basic information
- CAS
88-62-0- Standard SMILES
Cc1ccc(S(=O)(=O)O)c(N)c1- InChIKey
FJHGMUDVUAXUEK-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031415
Names & identifiers
- Preferred name
- 2-Amino-4-methylbenzenesulfonic acid
- IUPAC
- 2-amino-4-methylbenzenesulfonic acid
- English name
- 3-aminotoluene-4-sulphonic acid
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.22
Names & synonyms
2-amino-4-methylbenzenesulfonic acid88-62-02-Amino-p-toluenesulfonic acidBenzenesulfonic acid, 2-amino-4-methyl-BRN 2098666p-Toluenesulfonic acid, 2-amino-EINECS 201-844-4Kyselina 2-toluidin-4-sulfonova [Czech]Kyselina 2-toluidin-4-sulfonova51XX6Q201ZDTXSID10589733-14-00-02222 (Beilstein Handbook Reference)
Show more names
m-Toluidine-p-sulfonic acid2-amino-4-methyl-Benzenesulfonic acid1-amino-3-methylbenzene-6-sulfonic acid
3-AMINOTOLUENE-4-SULFONIC ACIDRefChem:464330DTXCID10486213-Aminotoluene-4-sulphonic acid2-amino-4-methylbenzene-1-sulfonic acidUNII-51XX6Q201ZSCHEMBL342585SCHEMBL342586
Database identifiers
- CAS
88-62-0- PubChem CID
- 66622
- DTXSID
DTXSID1058973- UNII
- 51XX6Q201Z
- EC Number
- 201-844-4
- Nikkaji
- J36.210G
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 244
Physicochemical properties
- Boiling point
- 500 °C · 500°C (rough estimate)
- Density
- 1.3553 · 1.3553 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- FDA UNII
- 51 XX6Q201Z · 51XX6Q201Z
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-amino-4-methyl- (88-62-0)
- TSCA
- TSCA listed
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 8480 mg/kg 28ZPAK -,183,72
Safety & regulation
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 8480 mg/kg 28ZPAK -,183,72
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-amino-4-methyl-: INACTIVE
Related reactions
1 records
Compound notes
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