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4,4,4-Trifluoro-2-butenenitrile

4,4,4-Trifluoro-2-butenenitrile structure

CAS No:
406-86-0
Formula:
C4H2F3N
Chemical Name:
4,4,4-Trifluoro-2-butenenitrile
Synonyms:
2-Butenenitrile,4,4,4-trifluoro-;Crotononitrile,4,4,4-trifluoro-;4,4,4-Trifluoro-2-butenenitrile;4,4,4-Trifluorocrotononitrile;4,4,4-Trifluorobut-2-enenitrile
Categories:
Organic Chemistry > Coordination Complexes

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4,4,4-Trifluoro-2-butenenitrile Basic Attributes

Molecular Weight：

121.06100

Exact Mass：

121.06

DSSTox ID：

DTXSID40420768

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

1.62848

Density：

1.164g/cm3

Boiling Point：

84 °C

Flash Point：

84-85°C

Refractive Index：

1.348

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

3276

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S26-S36/37/39-S45

Marks：

T: Toxic;Xi: Irritant;

Precautionary statement(s)：

P260, P261, P262, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P350, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (14.29%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P350, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,4,4-Trifluoro-2-butenenitrile Use and Manufacturing

4,4,4-Trifluorocrotonitrile is used in the synthesis of trifluoromethylated pyridine derivatives. In addition to substituted thiophenes.

Computed Properties

Molecular Weight:121.06
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Exact Mass:121.01393355
Monoisotopic Mass:121.01393355
Topological Polar Surface Area:23.8
Heavy Atom Count:8
Complexity:135
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,4,4-Trifluorocrotononitrile 99% see COA kanbei

CAS No.: 406-86-0

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Guide of 4,4,4-Trifluoro-2-butenenitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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4,4,4-Trifluoro-2-butenenitrile

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