2-Biphenylol, 4'-amino-
Basic information
- CAS
21849-92-3- Standard SMILES
Nc1ccc(-c2ccccc2O)cc1- InChIKey
JMYPKNRKMHLPKS-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 2-Biphenylol, 4'-amino-
- IUPAC
- 2-(4-aminophenyl)phenol
- English name
- 4'-Aminobiphenyl-2-ol
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
21849-92-32-Biphenylol, 4'-amino-4'-Amino-2-biphenylolDTXSID20176256RefChem:256662DTXCID70987472-(4-aminophenyl)phenol4'-AMINO-[1,1'-BIPHENYL]-2-OL4'-Aminobiphenyl-2-olMFCD11895227starbld0037629o-(p-Aminophenyl)phenol
Show more names
biphenyl-2-ol, 4'-amino-SCHEMBL314438SCHEMBL3794902CHEMBL38140134'-Amino[1,1'-biphenyl]-2-olAKOS016352804NS-01666A1-105115
Database identifiers
- CAS
21849-92-3- PubChem CID
- 146708
- DTXSID
DTXSID20176256- ChEMBL
CHEMBL3814013- EC Number
- 109-805-2
- Nikkaji
- J83.103D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 282 °C · 282 °C
- Boiling point
- 344.2 · 344.2±17.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 10.21 · 10.21±0.35(Predicted)
- InChI
- 1S/C12H11NO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8,14H,13H2
- InChIKey
- JMYPKNRKMHLPKS-UHFFFAOYSA-N
- SMILES
- NC1=CC=C(C=C1)C(C=CC=C2)=C2O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, 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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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