Basic information
- CAS
31835-64-0- Standard SMILES
Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1- InChIKey
MFOBJFPOQKSSKE-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 3-Biphenylamine, 3'-nitro-
- IUPAC
- 3-(3-nitrophenyl)aniline
- English name
- 3-Amino-3'-nitrobiphenyl hydrochloride
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
31835-64-03-Amino-3'-nitrobiphenyl3-BIPHENYLAMINE, 3'-NITRO-3'-Nitro-3-biphenylamineBRN 2111610DTXSID00185700RefChem:498079DTXCID001081913-(3-nitrophenyl)aniline3-AMINO-3'-NITROBIPHENYL HYDROCHLORIDE3'-NITRO-[1,1'-BIPHENYL]-3-AMINE HYDROCHLORIDE3'-Nitro-[1,1'-biphenyl]-3-amine
Show more names
3’-nitro-3-biphenylamin3’-nitro-3-biphenylamine[1,1'-Biphenyl]-3-amine, 3'-nitro-
3'-Nitrobiphenyl-3-amine3-amino -3'-nitrobiphenylCHEMBL353912SCHEMBL2026676SCHEMBL7679534SCHEMBL30469275MFOBJFPOQKSSKE-UHFFFAOYSA-NALBB-035114
Database identifiers
- CAS
31835-64-0- PubChem CID
- 35944
- DTXSID
DTXSID00185700- ChEMBL
CHEMBL353912- EC Number
- 109-811-5
- Nikkaji
- J88.744G
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 252
Physicochemical properties
- Boiling point
- 224 · 224-226 °C(Press: 2 Torr)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 3.97 · 3.97±0.10(Predicted)
- form
- solid
- InChI
- 1S/C12H10N2O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H,13H2
- InChIKey
- MFOBJFPOQKSSKE-UHFFFAOYSA-N
- SMILES
- [O-][N+](C1=CC(C2=CC(N)=CC=C2)=CC=C1)=O
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P264, P270, P301+P317, P330, 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%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Suppliers5 total
Apin Chemicals Limited (UK)[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
APIN-NP[email protected]
CHEMICAL LAND21[email protected]
3B Scientific Corporation[email protected]
Related reactions
3 records
Compound notes
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