Basic information
- Standard SMILES
Nc1cccc(-c2ccccc2)c1- InChIKey
MUNOBADFTHUUFG-UHFFFAOYSA-N- Molecular formula
- C12H11N
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.08914935
Overview
3-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen[2] and so it has been largely replaced by less toxic compounds.
Names & identifiers
- Preferred name
- 3-Aminobiphenyl
- IUPAC
- 3-phenylaniline
- English name
- 3-AMINOBIPHENYL
- Molecular formula
- C12H11N
- Molecular weight
- 169.22
Names & synonyms
3-Aminobiphenyl2243-47-2m-Aminobiphenyl3-BIPHENYLAMINEm-PhenylanilineP632PQP3U1DTXSID2036825RefChem:497716DTXCID0016825675-679-53-Phenylaniline[1,1'-Biphenyl]-3-amine
Show more names
AKOS BAR-2291AMINOBIPHENYL(3-)
biphenyl-3-aminebiphenyl-3-ylamine3-Aminodiphenyl(1,1'-Biphenyl)-3-amineMFCD00047846CHEMBL16426843-AMINO-1,1'-BIPHENYL3-phenylphenylamine
Database identifiers
- CAS
2243-47-2、41674-04-8- PubChem CID
- 16717
- DTXSID
DTXSID2036825- ChEMBL
CHEMBL1642684- UNII
- P632PQP3U1
- EC Number
- 675-679-5
- Nikkaji
- J70.024J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 28 · 28-33 °C
- Boiling point
- 125 · 125/1mm
- Density
- 1.0788 · 1.0788 (rough estimate)
- refractive index
- 1.6125 · 1.6125 (estimate)
- Flash point
- 29 °C · 29 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to lump to clear liquid
- pka
- 4.25 · 4.25(at 18℃)
- color
- White or Colorless to Light orange to Yellow
- InChI
- 1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2
- InChIKey
- MUNOBADFTHUUFG-UHFFFAOYSA-N
- SMILES
- Nc1cccc(c1)-c2ccccc2
- CAS DataBase Reference
- 2243 · 2243-47-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 632 PQP3U1 · P632PQP3U1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn,N
- Risk Statements
- 20 · 20/21/22-36/37/38-51-22
- Safety Statements
- 26 · 26-36/37/39-36-61-45-25-24
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- RTECS
- 8900000 · DU8900000
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29029090 · 29029090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Toxicology
Carcinogen ClassificationNot listed by IARC.
Safety data
- wgk
- 3
- rtecs
- DU8900000
- ridadr
- UN2811
- hs_code
- 29029090
- risk_code
- 20/21/22-36/37/38-51-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn,N
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36-61-45-25-24
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesIt is used to manufacture azo dyes.
Applications
UsesProduct of smoking tobacco
Upstream & downstream products
Upstream raw materials
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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