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4,4′-Difluorobenzophenone

4,4′-Difluorobenzophenone structure

CAS No:
345-92-6
Formula:
C13H8F2O
Chemical Name:
4,4′-Difluorobenzophenone
Synonyms:
Methanone,bis(4-fluorophenyl)-;Benzophenone,4,4′-difluoro-;Bis(4-fluorophenyl)methanone;4,4′-Difluorobenzophenone;p,p′-Difluorobenzophenone;Bis(4-fluorophenyl) ketone;Di-p-fluorophenyl ketone;Bis(p-fluorophenyl) ketone;NSC 51800;4,4′-Difluorodiphenyl ketone;4,4′-Difluorodiphenylmethanone
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Specialty Chemicals

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Description

white to slightly yellow crystalline powder

4,4′-Difluorobenzophenone Basic Attributes

Molecular Weight：

218.19900

Exact Mass：

218.20

EC Number：

206-466-3

UNII：

88BNC11B9C

NSC Number：

51800

DSSTox ID：

DTXSID30188062

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

3.8

Appearance：

White to off-white solid.

Density：

1.239g/cm3

Melting Point：

109 °C

Boiling Point：

137ºC (3 torr)

Flash Point：

118.4ºC

Refractive Index：

1.544

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Packing level：

I; II; III

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

DJ0685000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P273-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335-H411

GHS Classification：

|Warning|H302 (73.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 75 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

Bis(4-fluorophenyl)methanone is a known human metabolite of flunarizine.

MeSH Entry Terms：

4,4'-difluorobenzophenone

4,4′-Difluorobenzophenone Use and Manufacturing

4,4'-Difluorobenzophenone is used as a reagent in the synthesis of diphenylmethoxypiperidine-derived dopamine uptake inhibitors. Also used as a reagent in the synthesis of 1-benzhydryl piperazine derivatives which display ACE inhibitor and antimicrobial activity.

Computed Properties

Molecular Weight:218.20
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:218.05432120
Monoisotopic Mass:218.05432120
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Oxalyl chloride

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Guide of 4,4′-Difluorobenzophenone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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4,4′-Difluorobenzophenone

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