Basic information
- CAS
5042-54-6- Standard SMILES
Cc1cc(N=Nc2ccccc2)c(N)cc1N- InChIKey
JSWCBDPQYMLZPU-UHFFFAOYSA-N- Molecular formula
- C13H14N4
- Average molar mass
- 226.28 g/mol
- Monoisotopic mass
- 226.12184645
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 4-methyl-6-(phenylazo)-
- IUPAC
- 4-methyl-6-phenyldiazenylbenzene-1,3-diamine
- English name
- 5-(phenylazo)toluene-2,4-diamine
- Molecular formula
- C13H14N4
- Molecular weight
- 226.28
Names & synonyms
1,3-Benzenediamine, 4-methyl-6-(phenylazo)-RefChem:4128595042-54-62,4-Diamino-5-methylazobenzene4-Methyl-6-(phenyldiazenyl)benzene-1,3-diamineChrysoidine R Base5-(Phenylazo)toluene-2,4-diamineC.I.Solvent Orange 44-Methyl-6-(phenylazo)-1,3-benzenediamine4-methyl-6-phenyldiazenylbenzene-1,3-diamineMFCD019394141,3-Benzenediamine, 4-methyl-6-(2-phenyldiazenyl)-
Show more names
C.I.11320:1Solvent Orange 4C.I.Solvent Orange 4:C.I.11320:1(5-amino-2-methyl-4-phenylazo-phenyl)amine
Chrysoidine 3RN baseCCRIS 3858EINECS 225-736-1BRN 0748419C.I. 11320BChrysoidineRVbasem-Phenylenediamine, 4-methyl-6-(phenylazo)-Toluene-2,4-diamine, 5-(phenylazo)-
Database identifiers
- CAS
5042-54-6- PubChem CID
- 78177
- DTXSID
DTXSID4052136- EC Number
- 225-736-1
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 161.5 · 161.5-162 °C
- Boiling point
- 357.89 °C · 357.89°C (rough estimate)
- Density
- 1.0439 · 1.0439 (rough estimate)
- refractive index
- 1.485 · 1.4850 (estimate)
- pka
- 2.97 · 2.97±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 4-methyl-6-(phenylazo)- (5042-54-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P337+P313-P305+P351+P338-P301+P312+P330
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,3-Benzenediamine, 4-methyl-6-(phenylazo)-
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P501-P270-P264-P280-P337+P313-P305+P351+P338-P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediamine, 4-methyl-6-(2-phenyldiazenyl)-: ACTIVE
Preparation methods
Preparationaniline diazotization, and 4-Methylbenzene-1,3-diamine coupling, and made free base.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京芊亿达新材料科技有限公司15384069853
河南东元化工科技有限公司16696119288 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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