Basic information
- CAS
94-57-5- Standard SMILES
Cc1ccccc1NCS(=O)(=O)O- InChIKey
HFFSVWNRHLTGLV-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596421
Names & identifiers
- Preferred name
- Methanesulfonic acid, 1-((2-methylphenyl)amino)-
- IUPAC
- (2-methylanilino)methanesulfonic acid
- English name
- o-toluidinomethanesulphonic acid
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
Methanesulfonic acid, 1-((2-methylphenyl)amino)-Methanesulfonic acid, 1-[(2-methylphenyl)amino]-RefChem:811507o-Toluidinomethanesulfonic acid94-57-5o-Toluidinomethanesulphonic acidMethanesulfonic acid, o-toluidino-Methanesulfonic acid, [(2-methylphenyl)amino]-9U9F2G2ZPZMethanesulfonic acid, ((2-methylphenyl)amino)-NSC-11212(2-methylanilino)methanesulfonic acid
Show more names
o-toluidino-methanesulfonic acid[(2-Methylphenyl)amino]methanesulfonic acid
EINECS 202-343-3NSC 11212UNII-9U9F2G2ZPZNCIOpen2_004444DTXSID1059105SCHEMBL11148697HFFSVWNRHLTGLV-UHFFFAOYSA-NMethanesulphonic acid, o-toluidino-
Database identifiers
- CAS
94-57-5- PubChem CID
- 66753
- DTXSID
DTXSID1059105- UNII
- 9U9F2G2ZPZ
- EC Number
- 202-343-3
- Nikkaji
- J182.104K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- -1.11 · -1.11±0.50(Predicted)
- FDA UNII
- 9 U9F2G2ZPZ · 9U9F2G2ZPZ
- EPA Substance Registry System
- Methanesulfonic acid, [(2-methylphenyl)amino]- (94-57-5)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanesulfonic acid, 1-[(2-methylphenyl)amino]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…