Basic information
- CAS
51035-40-6- Standard SMILES
Oc1ccc(-c2ccccn2)cc1- InChIKey
VQHMPVXKDCHHSR-UHFFFAOYSA-N- Molecular formula
- C11H9NO
- Average molar mass
- 171.19 g/mol
Names & identifiers
- Preferred name
- 4-(Pyridin-2-yl)phenol
- IUPAC
- 4-pyridin-2-ylphenol
- English name
- 2-(4-Hydroxypenyl)pyridine
- Molecular formula
- C11H9NO
- Molecular weight
- 171.2
Names & synonyms
4-(Pyridin-2-yl)phenol51035-40-62-(4-Hydroxypenyl)pyridine4-(2-pyridyl)phenol4-pyridin-2-ylphenolMFCD00464189hydroxyphenylazineSCHEMBL1669339AKOS015915372CS-W019302FS-35732-(4-Hydroxyphenyl)pyridine
Show more names
4-(Pyridin-2-yl)4-(2-Pyridinyl)-phenolPhenol, 4-(2-pyridinyl)-2-(4-Hydroxyphenyl)pyridine2-(4-Hydroxypenyl)pyridine ISO 9001:2015 REACH4-(1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone
4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-oneUI4SCHEMBL4781592SCHEMBL6544558SCHEMBL9699617SCHEMBL29582340DTXSID20420488VQHMPVXKDCHHSR-UHFFFAOYSA-N
Database identifiers
- CAS
51035-40-6- PubChem CID
- 459499
- DTXSID
DTXSID20420488- EC Number
- 883-824-0
- Nikkaji
- J915.867G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 164 · 164-165 °C(Solv: benzene (71-43-2))
- Boiling point
- 185 · 185-188 °C(Press: 4 Torr)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 8.72 · 8.72±0.13(Predicted)
- color
- Pink
- InChI
- 1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H
- InChIKey
- VQHMPVXKDCHHSR-UHFFFAOYSA-N
- SMILES
- OC1=CC=C(C=C1)C2=NC=CC=C2
- CAS DataBase Reference
- 51035 · 51035-40-6(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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