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2,2,2-Trifluoroethyl butanoate

2,2,2-Trifluoroethyl butanoate structure

CAS No:
371-27-7
Formula:
C6H9F3O2
Chemical Name:
2,2,2-Trifluoroethyl butanoate
Synonyms:
Butanoic acid,2,2,2-trifluoroethyl ester;Butyric acid,2,2,2-trifluoroethyl ester;2,2,2-Trifluoroethyl butanoate;2,2,2-Trifluoroethyl butyrate

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Description

clear colorless to slightly yellow liquid

2,2,2-Trifluoroethyl butanoate Basic Attributes

Molecular Weight：

170.13000

Exact Mass：

170.13

DSSTox ID：

DTXSID00190591

HScode：

29156000

Characteristics

PSA：

26.30000

XLogP3：

1.89200

Appearance：

clear colorless to slightly yellow liquid

Density：

1.137 g/cm³ @ Temp: 25 °C

Boiling Point：

113 °C @ Press: 747 Torr

Flash Point：

75 °F

Refractive Index：

n20/D 1.347(lit.)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272 3/PG 2

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (97.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,2,2-trifluoroethyl butyrate

Computed Properties

Molecular Weight:170.13
XLogP3:2.1
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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2,2,2-Trifluoroethyl butyrate

CAS No.: 371-27-7

Content: 99.00%

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Guide of 2,2,2-Trifluoroethyl butanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
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2,2,2-Trifluoroethyl butanoate

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