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3-Bromo-1,1,1-trifluoro-2-butanone

3-Bromo-1,1,1-trifluoro-2-butanone structure

CAS No:
382-01-4
Formula:
C4H4BrF3O
Chemical Name:
3-Bromo-1,1,1-trifluoro-2-butanone
Synonyms:
2-Butanone,3-bromo-1,1,1-trifluoro-;3-Bromo-1,1,1-trifluoro-2-butanone;1,1,1-Trifluoro-3-bromobutan-2-one
Categories:
Organic Chemistry > Coordination Complexes

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3-Bromo-1,1,1-trifluoro-2-butanone Basic Attributes

Molecular Weight：

204.973

Exact Mass：

204.97

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

2.30

Density：

1.6303 g/cm³ @ Temp: 25 °C

Boiling Point：

93.0 °C

Flash Point：

27.9±25.9 °C

Refractive Index：

1.389

Safety Information

Transport codes：

1993

hazard class code：

R10

safety instructions：

S16-S26-S36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (66.67%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:204.97
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:203.93976
Monoisotopic Mass:203.93976
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:120
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Bromo-1,1,1-trifluoro-2-butanone

Basic Attributes
Characteristics
Safety Information
Computed Properties
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