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4,4-difluoro-1-phenylbutane-1,3-dione

4,4-difluoro-1-phenylbutane-1,3-dione structure

CAS No:
62679-61-2
Formula:
C10H8F2O2
Chemical Name:
4,4-difluoro-1-phenylbutane-1,3-dione
Synonyms:
TOS-BB-1273; 1-Phenyl-4,4-difluor-1,3-butandion; 1-phenyl-4,4-difluoro-1,3-butanedione; 4,4-Difluoro-1-phenyl-1,3-butanedione; 3-benzoyl-1,1-difluoroacetone;
Categories:
Organic Chemistry > Coordination Complexes

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4,4-difluoro-1-phenylbutane-1,3-dione Basic Attributes

Molecular Weight：

198.16600

Exact Mass：

198.04923582

DSSTox ID：

DTXSID70378940

HScode：

2914700090

Characteristics

PSA：

34.14000

XLogP3：

2.09360

Density：

1.22g/cm3

Melting Point：

47-51ºC(lit.)

Boiling Point：

242ºC

Flash Point：

>230°F

Refractive Index：

1.476

Safety Information

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:198.04923582
Monoisotopic Mass:198.04923582
Topological Polar Surface Area:34.1
Heavy Atom Count:14
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,4-difluoro-1-phenylbutane-1,3-dione

CAS No.: 62679-61-2

Content: 99.00%

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