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2,2-DIFLUOROACETOPHENONE

2,2-DIFLUOROACETOPHENONE structure

CAS No:
395-01-7
Formula:
C8H6F2O
Chemical Name:
2,2-DIFLUOROACETOPHENONE
Synonyms:
2,2-DIFLUOROACETOPHENONE;A,A-DIFLUOROACETOPHENONE;2,2-Difluoroacetophenone,95%;2,2-Difluoroacetophenone97%;2,2-DIFLUORO-1-PHENYLETHANONE;ALPHA,ALPHA-DIFLUOROACETOPHENONE;2,2-Difluoro-1-phenylethan-1-one;Ethanone,2,2-difluoro-1-phenyl-(9CI);2,2-Difluoro-1-phenylethan-1-one,2,2-Difluoro-1-phenyl-1-oxoethane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,2-DIFLUOROACETOPHENONE Basic Attributes

Molecular Weight：

156.12900

Exact Mass：

156.03900

NSC Number：

118411

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

2.13440

Density：

1.18g/cm3

Melting Point：

48-50ºC

Boiling Point：

53-54ºC/12mm

Flash Point：

71.9ºC

Refractive Index：

1.4955

Water Solubility：

Immiscible with water.

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H226 (88.64%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:156.13
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:156.03867113
Monoisotopic Mass:156.03867113
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes