Basic information
- CAS
964-75-0- Standard SMILES
Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
OPGDEODYIMUSCO-UHFFFAOYSA-N- Molecular formula
- C13H11N3O4
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.07495584
Names & identifiers
- Preferred name
- 2,4-Dinitro-2'-methyldiphenylamine
- IUPAC
- N-(2-methylphenyl)-2,4-dinitroaniline
- English name
- 2,4-DINITRO-2'-METHYLDIPHENYLAMINE
- Molecular formula
- C13H11N3O4
- Molecular weight
- 273.24
Names & synonyms
964-75-02,4-DINITRO-2'-METHYLDIPHENYLAMINERefChem:443819654-261-6N-(2-Methylphenyl)-2,4-dinitroaniline2,4-Dinitro-N-(o-tolyl)anilineMFCD00024385(2,4-dinitrophenyl)(2-methylphenyl)amineOprea1_334119CBDivE_015789OPGDEODYIMUSCO-UHFFFAOYSA-NN-(2,4-Dinitrophenyl)-O-toluidine
Show more names
TIMTEC-BB SBB0063112,4-dinitro-N-o-tolylanilineBenzenamine,N-(2-methylphenyl)-2,4-dinitro-
SBB006311AKOS000285977ST024167N-(2-Methylphenyl)-2,4-dinitroaniline #CS-0325583AE-641/30196019Z31200485
Database identifiers
- CAS
964-75-0- PubChem CID
- 623504
- EC Number
- 654-261-6
- Nikkaji
- J1.090.310F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 128 · 128-129 °C
- Boiling point
- 415.2 · 415.2±40.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- -5.06 · -5.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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