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4,4,4-Trifluorobutanenitrile

4,4,4-Trifluorobutanenitrile structure

CAS No:
690-95-9
Formula:
C4H4F3N
Chemical Name:
4,4,4-Trifluorobutanenitrile
Synonyms:
Butanenitrile,4,4,4-trifluoro-;Butyronitrile,4,4,4-trifluoro-;4,4,4-Trifluorobutanenitrile;4,4,4-Trifluorobutyronitrile
Categories:
Organic Chemistry > Coordination Complexes

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4,4,4-Trifluorobutanenitrile Basic Attributes

Molecular Weight：

123.07600

Exact Mass：

123.08

DSSTox ID：

DTXSID70337496

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

1.85248

Density：

1.21 g/cm³ @ Temp: 24.5 °C

Boiling Point：

140 °C

Flash Point：

13.1ºC

Refractive Index：

1.324

Safety Information

Transport codes：

UN 3276

hazard class code：

R20/21/22

safety instructions：

23-26-36/37/39

Marks：

Xi,T,F

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:123.08
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:123.02958362
Monoisotopic Mass:123.02958362
Topological Polar Surface Area:23.8
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4,4-Trifluorobutanenitrile

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