1-Benzoylnaphthalene

HCID 69503CAS 642-29-5

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Basic information

Standard SMILES: O=C(c1ccccc1)c1cccc2ccccc12
InChIKey: CXAYOCVHDCXPAI-UHFFFAOYSA-N
Molecular formula: C17H12O
Average molar mass: 232.28 g/mol
Monoisotopic mass: 232.088815

Overview

structure in first source

Names & identifiers

Preferred name: 1-Benzoylnaphthalene
IUPAC: naphthalen-1-yl(phenyl)methanone
English name: 1-Naphthyl phenyl ketone
Molecular formula: C17H12O
Molecular weight: 232.28

Names & synonyms

1-Benzoylnaphthalene642-29-5Naphthyl phenyl ketoneMethanone, 1-naphthalenylphenyl-7T55R2BB8XNSC-6729DTXSID80214401RefChem:164774DTXCID40136892211-382-52-naphthylphenylketone1-NAPHTHYL PHENYL KETONE

Show more names

A-BENZOYLNAPHTHALENE1-Naphtylphenyl ketone1-Naphthylphneylketone1-Benzoylnaphthalene,97%(1-Naphtyl)phenyl ketone(1-Naphtyl)phenylmethanone

naphthalen-1-yl(phenyl)methanoneBenzoylnaphthalene(naphthalen-1-yl)(phenyl)methanone1-naphthyl(phenyl)methanonealpha-BENZOYLNAPHTHALENEMFCD00046431MLS0026379311-NAPHTHALENYLPHENYLMETHANONE

Database identifiers

CAS: 642-29-5
PubChem CID: 69503
DTXSID: DTXSID80214401
ChEMBL: CHEMBL1709527
UNII: 7T55R2BB8X
EC Number: 211-382-5
Nikkaji: J7.057B

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 290

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point: 75 · 75-76°C
Boiling point: 386 °C · 386 °C(Press: 134 Torr)
Density: 1.151 · 1.151±0.06 g/cm3(Predicted)
form: powder
color: Off-white
CAS DataBase Reference: 642 · 642-29-5(CAS DataBase Reference)
FDA UNII: 7 T55R2BB8X · 7T55R2BB8X
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2914500090 · 2914500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.