Basic information
- CAS
6387-14-0- Standard SMILES
Cc1cc(S(=O)(=O)O)cc(Cl)c1N- InChIKey
DTQVHBIQMCFTSZ-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO3S
- Average molar mass
- 221.66 g/mol
- Monoisotopic mass
- 220.9913418
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-amino-3-chloro-5-methyl-
- IUPAC
- 4-amino-3-chloro-5-methylbenzenesulfonic acid
- English name
- 6-amino-5-chlorotoluene-3-sulphonic acid
- Molecular formula
- C7H8ClNO3S
- Molecular weight
- 221.66
Names & synonyms
6387-14-04-amino-3-chloro-5-methylbenzenesulfonic acidBenzenesulfonic acid, 4-amino-3-chloro-5-methyl-6-Amino-5-chlorotoluene-3-sulphonic acid4-Amino-5-chloro-m-toluensulfonic acidm-Toluenesulfonic acid, 4-amino-5-chloro-EINECS 228-989-6NSC 60122DTXSID8064303RefChem:564525DTXCID5044150m-Toluenesulfonic acid, 4-amino-5-chloro-(8CI)
Show more names
6-Chloro-o-toluidine-4-sulfonic acid (NH2=1)m-Toluenesulfonic acid, 4-amino-5-chloro- (8ci)
228-989-6NSC-601224-amino-3-chloro-5-methylbenzene-1-sulfonic acidNSC60122MNG43H7SAMSCHEMBL7822495DTQVHBIQMCFTSZ-UHFFFAOYSA-NAKOS024332360
Database identifiers
- CAS
6387-14-0- PubChem CID
- 80802
- DTXSID
DTXSID8064303- UNII
- MNG43H7SAM
- EC Number
- 228-989-6
- Nikkaji
- J30.506E
Properties
Computed structural properties
- XLogP
- 1
- 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
Physicochemical properties
- Density
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- pka
- -1.48 · -1.48±0.50(Predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-amino-3-chloro-5-methyl- (6387-14-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-amino-3-chloro-5-methyl-: INACTIVE
Applications
Description6-amino-5-chlorotoluene-3-sulphonic acid is made by sulfonation of 2- chloro-6-methylaniline in o-dichlorobenzene with anhydrous sulfuric acid in vacuo, during which the water of the reaction distills off. Alternative: chlorination of 4-acetylamino-3- methylbenzenesulfonic acid in water and deacetylation. The compound is used as a dye component.
Upstream & downstream products
Downstream products
Suppliers5 total
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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