N-(2,4-Dinitrophenyl)-m-toluidine
Basic information
- CAS
964-79-4- Standard SMILES
Cc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1- InChIKey
PKFVVWUEBWQRKF-UHFFFAOYSA-N- Molecular formula
- C13H11N3O4
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.07495583
Names & identifiers
- Preferred name
- N-(2,4-Dinitrophenyl)-m-toluidine
- IUPAC
- N-(3-methylphenyl)-2,4-dinitroaniline
- English name
- N-(3-methylphenyl)-2,4-dinitroaniline
- Molecular formula
- C13H11N3O4
- Molecular weight
- 273.24
Names & synonyms
964-79-4N-(2,4-DINITROPHENYL)-M-TOLUIDINE2,4-Dinitro-3'-methyldiphenylamineDTXSID80242224RefChem:824025DTXCID80164715654-800-5N-(3-Methylphenyl)-2,4-dinitroanilineN-(m-Tolyl)-2,4-dinitro-anilineN-(3-METHYLPHENYL)-2,4-DINITRO-ANILINE2,4-Dinitro-N-(m-tolyl)aniline(2,4-dinitrophenyl)(3-methylphenyl)amine
Show more names
N-(2,4-dinitrophenyl)-N-(3-methylphenyl)amine
m-Toluidine, N-(2,4-dinitrophenyl)-Benzenamine, N-(3-methylphenyl)-2,4-dinitro-Oprea1_102297SCHEMBL27434871PKFVVWUEBWQRKF-UHFFFAOYSA-N3'-Methyl-2,4-dinitrodiphenylamineMFCD00024390SBB006317
Database identifiers
- CAS
964-79-4- PubChem CID
- 13759
- DTXSID
DTXSID80242224- EC Number
- 654-800-5
- Nikkaji
- J48.078I
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
- 366
Physicochemical properties
- Melting point
- 159 °C · 159 °C
- Boiling point
- 419.7 · 419.7±40.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- -4.74 · -4.74±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318-H302
- 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-H315-H318-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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