Benzenesulfonic acid, 3,5-diamino-4-methyl-
Basic information
- CAS
98-25-9- Standard SMILES
Cc1c(N)cc(S(=O)(=O)O)cc1N- InChIKey
IPQWXJDRMKGSFI-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3S
- Average molar mass
- 202.23 g/mol
- Monoisotopic mass
- 202.04121336
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3,5-diamino-4-methyl-
- IUPAC
- 3,5-diamino-4-methylbenzenesulfonic acid
- English name
- 2,6-Diaminotoluene-4-sulfonic acid
- Molecular formula
- C7H10N2O3S
- Molecular weight
- 202.23
Names & synonyms
3,5-Diamino-4-methylbenzenesulfonic acid98-25-9Benzenesulfonic acid, 3,5-diamino-4-methyl-3,5-Diamino-p-toluenesulfonic acid2,6-Diaminotoluene-4-sulphonic acidEINECS 202-649-7NSC 43299p-Toluenesulfonic acid, 3,5-diamino-DTXSID0059162RefChem:564245DTXCID3049045p-Toluenesulfonic acid, 3,5-diamino-(8CI)
Show more names
5-Oxooxolane-2,3-dicarboxylic acid2,6-DIAMINO TOLUENE-4-SULFONIC ACID3,5-Diamino-4-Methylbenzenesulfonic3,5-diamino-4-methylbenzenesulfonicaci3,5-DIAMNIO-4-CHLOROBENZENESULFONICACID3,5-DIAMINO-4-MEHYLBENZENESULFONIC ACID3,5-DIAMINO-4-METHYL-BENZENESULFONIC ACID1-methyl-2,6-diaminobenzene-4-sulphonic acid
202-649-72,6-Diaminotoluene-4-sulfonic acid3,5-diamino-4-methylbenzene-1-sulfonic acidp-Toluenesulfonic acid,5-diamino-NSC-43299Benzenesulfonic acid,5-diamino-4-methyl-NSC43299SCHEMBL4812412
Database identifiers
- CAS
98-25-9- PubChem CID
- 66812
- DTXSID
DTXSID0059162- UNII
- V639XR4UA9
- EC Number
- 202-649-7
- Nikkaji
- J182.127J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.59 · -1.59±0.50(Predicted)
- CAS DataBase Reference
- 98 · 98-25-9(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3,5-diamino-4-methyl- (98-25-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3,5-diamino-4-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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