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4,4,4-Trifluoro-2-buten-1-ol

4,4,4-Trifluoro-2-buten-1-ol structure

CAS No:
674-53-3
Formula:
C4H5F3O
Chemical Name:
4,4,4-Trifluoro-2-buten-1-ol
Synonyms:
2-Buten-1-ol,4,4,4-trifluoro-;4,4,4-Trifluoro-2-buten-1-ol;4,4,4-Trifluorocrotyl alcohol;1-Trifluoromethylprop-1-en-3-ol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4,4,4-Trifluoro-2-buten-1-ol Basic Attributes

Molecular Weight：

126.077

Exact Mass：

126.08

EC Number：

614-064-8

HScode：

2905590090

Characteristics

PSA：

20.23000

XLogP3：

0.46

Density：

1.2±0.1 g/cm3

Melting Point：

118-119ºC

Boiling Point：

95.9±35.0 °C at 760 mmHg

Flash Point：

51.0±17.0 °C

Refractive Index：

1.362

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xi,F

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:126.08
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:126.02924926
Monoisotopic Mass:126.02924926
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:83.8
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,4,4-Trifluoro-2-buten-1-ol

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Guide of 4,4,4-Trifluoro-2-buten-1-ol

Basic Attributes
Characteristics
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Computed Properties
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