alpha,alpha-Diphenyl-4-pyridinemethanol

HCID 74177CAS 1620-30-0

Substructure search Find similar structures

Basic information

Standard SMILES: OC(c1ccccc1)(c1ccccc1)c1ccncc1
InChIKey: MRHLFZXYRABVOZ-UHFFFAOYSA-N
Molecular formula: C18H15NO
Average molar mass: 261.3 g/mol
Monoisotopic mass: 261.1153641

Names & identifiers

Preferred name: alpha,alpha-Diphenyl-4-pyridinemethanol
IUPAC: diphenyl(pyridin-4-yl)methanol
English name: Diphenyl(4-pyridyl)methanol
Molecular formula: C18H15NO
Molecular weight: 261.32

Names & synonyms

1620-30-0alpha-(4-Pyridyl)benzhydryl alcoholalpha,alpha-Diphenyl-4-pyridinemethanolDTXSID80167281RefChem:1076395DTXCID5089772216-584-7diphenyl(pyridin-4-yl)methanolalpha-(4-Pyridyl)benzhydroldiphenyl(4-pyridyl)methanol4-Pyridinemethanol, alpha,alpha-diphenyl-Diphenyl-4-pyridylmethanol

Show more names

(4-Pyridyl)benzhydrolα-(4-Pyridyl)benzhydrol4-Pyridyldiphenylmethanol(4-Pyridyl)diphenylmethanoliphenyl(pyridin-4-yl)methanolα,α-Diphenyl-4-pyridylmethanol

MFCD00006434Diphenyl(4-pyridinyl)methanolFE82648Q6HNSC-525212diphenyl-4-pyridylmethan-1-olEINECS 216-584-7NSC525212A-4-Pyridylbenzhydrol

Database identifiers

CAS: 1620-30-0
PubChem CID: 74177
DTXSID: DTXSID80167281
ChEMBL: CHEMBL1493249
UNII: FE82648Q6H
EC Number: 216-584-7
Nikkaji: J195.243I

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 268

Physicochemical properties

Melting point: 240 °C · 240 °C
Boiling point: 445.3 · 445.3±40.0 °C(Predicted)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
form: powder to crystal
pka: 11.82 · 11.82±0.29(Predicted)
color: White to Light yellow to Light red
CAS DataBase Reference: 1620 · 1620-30-0(CAS DataBase Reference)
FDA UNII: 82648 Q6H · FE82648Q6H
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39-36/37/39-22
WGK Germany: 3 · 3
HS Code: 2933.39 · 2933.39.9200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2933.39.9200
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-22
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313