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Ethyl4,4,4-trifluorobutyrate

Ethyl4,4,4-trifluorobutyrate structure

CAS No:
371-26-6
Formula:
C6H9F3O2
Chemical Name:
Ethyl4,4,4-trifluorobutyrate
Synonyms:
RARECHEMALBI0445;ETHYL4,4,4-TRIFLUOROBUTYRATE;Ethyl4,4,4-trifluorobutanoate;Ethyl4,4,4-trifluorobutyrate98%;Ethyl4,4,4-trifluorobutyrate98%;4,4,4-Trifluorobutyricacidethylester;4,4,4-Trifluorobutanoicacidethylester;Butanoicacid,4,4,4-trifluoro-,ethylester
Categories:
Organic Chemistry > Coordination Complexes

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Description

Light yellow liquid

Ethyl4,4,4-trifluorobutyrate Basic Attributes

Molecular Weight：

170.13000

Exact Mass：

170.05500

DSSTox ID：

DTXSID80369824

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.89200

Density：

1.16 g/mL at 25 °C(lit.)

Boiling Point：

127 °C(lit.)

Flash Point：

92 °F

Refractive Index：

n20/D 1.3516(lit.)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

R10;R20/21/22;R36/37

safety instructions：

S16-S26-S36

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H312-H319-H332-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:170.13
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:170.05546401
Monoisotopic Mass:170.05546401
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 371-26-6

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Guide of Ethyl4,4,4-trifluorobutyrate

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Basic Attributes
Characteristics
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Computed Properties
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