4-(Pyridin-4-yl)phenol

HCID 135410177

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Basic information

CAS: 77409-99-5
Standard SMILES: Oc1ccc(-c2ccncc2)cc1
InChIKey: DANMQSWQAGVFKV-UHFFFAOYSA-N
Molecular formula: C11H9NO
Average molar mass: 171.19 g/mol

Names & identifiers

Preferred name: 4-(Pyridin-4-yl)phenol
IUPAC: 4-pyridin-4-ylphenol
English name: 4-(Pyridin-4-yl)phenol
Molecular formula: C11H9NO
Molecular weight: 171.2

Names & synonyms

4-(Pyridin-4-yl)phenol77409-99-5DTXSID80434086RefChem:516853DTXCID00384913809-583-34-(4-Pyridinyl)-phenol4-pyridin-4-ylphenolMFCD119326624-(4-pyridyl)phenolPhenol, 4-(4-pyridinyl)-4-(1H-pyridin-4-ylidene)cyclohexa-2,5-dien-1-one

Show more names

4-pyridin-4-yl-phenol4-(4-hydroxyphenyl)pyridine4-(4'-hydroxyphenyl)pyridineSCHEMBL1960709DANMQSWQAGVFKV-UHFFFAOYSA-NCDA40999AKOS015948475SB53220

Database identifiers

CAS: 77409-99-5
PubChem CID: 135410177
DTXSID: DTXSID80434086
EC Number: 809-583-3
Nikkaji: J1.211.658F、J3.030.548E、J606.134F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 256 °C · 256 °C(Solv: ethanol (64-17-5))
Boiling point: 316.9 · 316.9±17.0 °C(Predicted)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 8.18 · 8.18±0.13(Predicted)
InChI: 1S/C11H9NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-8,13H
InChIKey: DANMQSWQAGVFKV-UHFFFAOYSA-N
SMILES: OC1=CC=C(C=C1)C2=CC=NC=C2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.