Benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl-
Basic information
- CAS
32432-55-6- Standard SMILES
Cc1c(N)c(C)c(S(=O)(=O)O)c(C)c1N- InChIKey
PKKGGWLTUCMSSD-UHFFFAOYSA-N- Molecular formula
- C9H14N2O3S
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.07251349
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl-
- IUPAC
- 3,5-diamino-2,4,6-trimethylbenzenesulfonic acid
- English name
- 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid
- Molecular formula
- C9H14N2O3S
- Molecular weight
- 230.28
Names & synonyms
3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid32432-55-6Diaminomesitylenesulfonic acidBenzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl-EINECS 251-039-7BRN 33234742-14-00-00453 (Beilstein Handbook Reference)DTXSID5067681RefChem:117864DTXCID4038508MFCD000438272,4,6-Trimethyl-3,5-diaminobenzenesulfonic Acid
Show more names
sym-m-xylic acidSYM-M-XYLYLIC ACIDRARECHEM AL BO 06073,5-Diamino-2,4,6-trM-XYLENE-5-CARBOXYLIC ACIDDiaminomesitylensulfonsurediaminomesitylenesulfonicacid2,4-Diamino-6-sulfomesitylene2,4-DIAMINO-3,5-DIMETHYL-6-SULFOTOLUENE
3,5-Diamino-2,4,6-trimethylbenzenesulphonic acid3,5-Diamino-2,4,6-trimethylbenzene-1-sulfonic acid2,6-Diaminomesitylene-4-sulfonic Acid3,5-Diamino-2,4,6-trimethylbenzene sulfonic acidTX8S4TKW8B3,5-Diamino-2,4,6-trimethylbenzenesulfonicAcidSCHEMBL1271356AKOS015960610
Database identifiers
- CAS
32432-55-6- PubChem CID
- 94430
- DTXSID
DTXSID5067681- UNII
- TX8S4TKW8B
- EC Number
- 251-039-7
- Nikkaji
- J168.271G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 169 · 169-171 °C(lit.)
- Density
- 1.3034 · 1.3034 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- -1.46 · -1.46±0.50(Predicted)
- CAS DataBase Reference
- 32432 · 32432-55-6(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl- (32432-55-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36-37/39-45
- RIDADR
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DG8734030
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2921.59.8090
- risk_code
- 36/37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-36-37/39-45
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl-: ACTIVE
Applications
Uses3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid is used as an intermediate for reactive dyes.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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