CAS 66938-29-2 2-Fluoro-4'-methoxybenzophenone (HCID 2783236)

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Basic information

CAS: 66938-29-2
Standard SMILES: COc1ccc(C(=O)c2ccccc2F)cc1
InChIKey: POAARNGQBDUHLI-UHFFFAOYSA-N
Molecular formula: C14H11FO2
Average molar mass: 230.23 g/mol
Monoisotopic mass: 230.07430781

Names & identifiers

Preferred name: 2-Fluoro-4'-methoxybenzophenone
IUPAC: (2-fluorophenyl)-(4-methoxyphenyl)methanone
English name: 2-Fluoro-4'-methoxybenzophenone
Molecular formula: C14H11FO2
Molecular weight: 230.23

Names & synonyms

2-Fluoro-4'-methoxybenzophenone66938-29-2DTXSID30382523RefChem:260894DTXCID60333548(2-fluorophenyl)(4-methoxyphenyl)methanone(2-fluorophenyl)-(4-methoxyphenyl)methanoneMFCD007493312-fluorophenyl 4-methoxyphenyl ketone2-Fluoro-4-methoxybenzophenoneSCHEMBL32441892-Fluoro-4''-methoxybenzophenone

Show more names

LABOTEST-BB LT00454689Methanone, (2-fluorophenyl)(4-methoxyphenyl)-2-Fluoro-4′-methoxybenzophenone, CAS 66938-29-2

POAARNGQBDUHLI-UHFFFAOYSA-NSBB057926AKOS001482740DB-021082ST50825803(2-fluoro-phenyl)-(4-methoxy-phenyl)-methanoneAG-690/10290004F022815

Database identifiers

CAS: 66938-29-2
PubChem CID: 2783236
DTXSID: DTXSID30382523
EC Number: 675-383-6
Nikkaji: J1.936.423B

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 55 · 55-57°C
Boiling point: 155 · 155-160°C 5mm
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
Flash point: 155 · 155-160°C/5mm
BRN: 2107951 · 2107951
CAS DataBase Reference: 66938 · 66938-29-2(CAS DataBase Reference)
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2914500090 · 2914500090

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.