4-Amino-4'-nitrobiphenyl
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Basic information
- CAS
1211-40-1- Standard SMILES
Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
BOFVBIYTBGDQGY-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 4-Amino-4'-nitrobiphenyl
- IUPAC
- 4-(4-nitrophenyl)aniline
- English name
- 4-AMINO-4'-NITROBIPHENYL
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
4-Amino-4'-nitrobiphenyl1211-40-14'-Nitro-4-biphenylamine4-BIPHENYLAMINE, 4'-NITRO-CCRIS 5145[1,1'-Biphenyl]-4-amine, 4'-nitro-4-Nitro-4'-AminodiphenylBRN 2212981D6O61L798NUNII-D6O61L798NDTXSID10368364'-NITRO-4-AMINODIPHENYL
Show more names
AKOS AUF020044’-nitro-4-biphenylamin4-(4-Nitrophenyl)aniline4'-Nitrobiphenyl-4-amine4-Nitro-4'-aminobiphenyl4’-nitro-4-biphenylamine4-AMINO-4'-NITRODIPHENYL
Benzenamine, 4-(4-nitrophenyl)-4-12-00-03273 (Beilstein Handbook Reference)4'-NITRO(1,1'-BIPHENYL)-4-AMINE(1,1'-BIPHENYL)-4-AMINE, 4'-NITRO-4'-Nitro[1,1'-biphenyl]-4-amineRefChem:97766DTXCID9016836672-752-3
Database identifiers
- CAS
1211-40-1- PubChem CID
- 14593
- DTXSID
DTXSID1036836- ChEMBL
CHEMBL163730- UNII
- D6O61L798N
- EC Number
- 672-752-3
- Nikkaji
- J54.547C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- 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
- 236
Physicochemical properties
- Melting point
- 204 °C · 204°C
- Boiling point
- 354.35 °C · 354.35°C (rough estimate)
- Density
- 1.2042 · 1.2042 (rough estimate)
- refractive index
- 1.666 · 1.6660 (estimate)
- pka
- 3.69 · 3.69±0.10(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- Stability
- Stability
- CAS DataBase Reference
- 1211 · 1211-40-1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 O61L798N · D6O61L798N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- rtecs
- DV0350000
- hs_code
- 2921.44.7000
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Suppliers
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Related reactions
6 records
Compound notes
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