Basic information
- CAS
14338-01-3- Standard SMILES
CNc1cc(S(=O)(=O)O)ccc1C- InChIKey
JGRPAFZFWIYCMC-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596421
Names & identifiers
- Preferred name
- 2-(Methylamino)toluene-4-sulphonic acid
- IUPAC
- 4-methyl-3-(methylamino)benzenesulfonic acid
- English name
- 2-(methylamino)toluene-4-sulphonic acid
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
14338-01-32-(Methylamino)toluene-4-sulphonic acid4-methyl-3-(methylamino)benzenesulfonic acidEINECS 238-287-1DTXSID70162402NSC 89722RefChem:461338DTXCID1084893238-287-1NSC897222-(METHYLAMINO)TOLUENE-4-SULFONIC ACID4-methyl-3-(methylamino)benzene-1-sulfonic acid
Show more names
Benzenesulfonic acid, 4-methyl-3-(methylamino)-
SCHEMBL1807697SCHEMBL10485968JGRPAFZFWIYCMC-UHFFFAOYSA-NNSC-89722AKOS024332924N,4-DIMETHYLMETANILIC ACID, TECH.NS00024660
Database identifiers
- CAS
14338-01-3- PubChem CID
- 84360
- DTXSID
DTXSID70162402- EC Number
- 238-287-1
- Nikkaji
- J216.969J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- -1 · -1.00±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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