Basic information
- CAS
612-36-2- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccccc2[N+](=O)[O-])cc1- InChIKey
TXJIDOLTOGSNPD-UHFFFAOYSA-N- Molecular formula
- C12H9N3O4
- Average molar mass
- 259.22 g/mol
- Monoisotopic mass
- 259.05930578
Names & identifiers
- Preferred name
- 2-nitro-N-(4-nitrophenyl)aniline
- IUPAC
- 2-nitro-N-(4-nitrophenyl)aniline
- English name
- 2,4'-Dinitrodiphenylamine
- Molecular formula
- C12H9N3O4
- Molecular weight
- 259.22
Names & synonyms
2-Nitro-N-(4-nitrophenyl)aniline2,4'-Dinitrodiphenylamine612-36-2EINECS 210-306-8DTXSID80210105NSC 229367RefChem:477171DTXCID40132596210-306-8Diphenylamine, 2,4'-dinitro-Benzenamine, 2-nitro-N-(4-nitrophenyl)-JNF2EZ3N8Y
Show more names
2-Nitrophenyl 4-nitrophenylamineN-(4-Nitrophenyl)-2-nitroanilineN-(2-Nitrophenyl)-4-nitroaniline2-Nitrophenyl(4-nitrophenyl)amine
NSC-229367NSC2293672-nitro-N-(4-nitrophenyl)benzenamineUNII-JNF2EZ3N8Y2,4'-Dinitro-diphenylaminSCHEMBL5718635MFCD018615312-Nitro-N-(4-nitrophenyl)aniline #
Database identifiers
- CAS
612-36-2- PubChem CID
- 69159
- DTXSID
DTXSID80210105- UNII
- JNF2EZ3N8Y
- EC Number
- 210-306-8
- Nikkaji
- J134.541I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 217 °C · 217 °C
- Boiling point
- 434.3 · 434.3±30.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- -6.77 · -6.77±0.40(Predicted)
- CAS DataBase Reference
- 612 · 612-36-2(CAS DataBase Reference)
- FDA UNII
- 2 EZ3N8Y · JNF2EZ3N8Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
成都天府诺创国际生物医药研究院有限公司18244267397 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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