[1,1'-Biphenyl]-4-amine, 3-nitro-
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Basic information
- CAS
4085-18-1- Standard SMILES
Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]- InChIKey
MQDYZYVWFUIEQU-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422756
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-amine, 3-nitro-
- IUPAC
- 2-nitro-4-phenylaniline
- English name
- 3-nitrobiphenyl-4-ylamine
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
3-Nitro-4-biphenylamine4-Phenyl-2-nitroaniline[1,1'-Biphenyl]-4-amine, 3-nitro-4-Biphenylamine, 3-nitro-(1,1'-Biphenyl)-4-amine, 3-nitro-NSC 4703EINECS 223-813-4DTXSID5063289RefChem:391089DTXCID80398234085-18-13-nitrobiphenyl-4-amine
Show more names
2-Nitro-4-phenylaniline3-Nitrobiphenyl-4-ylamine3-Nitro-[1,1'-biphenyl]-4-amineMFCD000546062-nitro-4-phenyl-aniline5H3VX4KE3MNSC-47033-Nitro[1,1'-biphenyl]-4-amine
Database identifiers
- CAS
4085-18-1- PubChem CID
- 77705
- DTXSID
DTXSID5063289- ChEMBL
CHEMBL1632550- UNII
- 5H3VX4KE3M
- EC Number
- 223-813-4
- Nikkaji
- J80.744C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Orange to red Solid
- FDA UNII
- 5 H3VX4KE3M · 5H3VX4KE3M
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-amine, 3-nitro- (4085-18-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-amine, 3-nitro-: ACTIVE
Related reactions
16 records
Compound notes
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