2,4-Dinitro-4'-methyldiphenylamine
Basic information
- CAS
1033-01-8- Standard SMILES
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
RNXMAPTUJXBOFX-UHFFFAOYSA-N- Molecular formula
- C13H11N3O4
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.07495583
Names & identifiers
- Preferred name
- 2,4-Dinitro-4'-methyldiphenylamine
- IUPAC
- N-(4-methylphenyl)-2,4-dinitroaniline
- English name
- N-(2,4-Dinitrophenyl)-p-toluidine
- Molecular formula
- C13H11N3O4
- Molecular weight
- 273.24
Names & synonyms
2,4-DINITRO-4'-METHYLDIPHENYLAMINERefChem:443825653-075-21033-01-8N-(4-Methylphenyl)-2,4-dinitroaniline2,4-Dinitro-N-(p-tolyl)anilineBenzenamine, N-(4-methylphenyl)-2,4-dinitro-(2,4-dinitrophenyl)(4-methylphenyl)amine(2,4-Dinitro-phenyl)-p-tolyl-amineNSC83167N-(2,4-Dinitrophenyl)-p-toluidineNCIOpen2_004500
Show more names
CBDivE_000330SCHEMBL6002470DTXSID40908319RNXMAPTUJXBOFX-UHFFFAOYSA-NMFCD00024396NSC-83167SBB0010824-Methyl-2',4'-dinitrodiphenylamine
Database identifiers
- CAS
1033-01-8- PubChem CID
- 256356
- DTXSID
DTXSID40908319- EC Number
- 653-075-2
- Nikkaji
- J308.995I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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