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Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate

Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate structure

CAS No:
306936-81-2
Formula:
C12H8F6O3
Chemical Name:
Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate
Synonyms:
Benzeneacetic acid,α-oxo-2,4-bis(trifluoromethyl)-,ethyl ester;Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate

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Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate Basic Attributes

Molecular Weight：

314.18

Exact Mass：

314.18

DSSTox ID：

DTXSID80381905

Characteristics

PSA：

43.4

XLogP3：

3.8

Density：

1.399±0.06 g/cm3(Predicted)

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:314.18
XLogP3:3.8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:314.03776309
Monoisotopic Mass:314.03776309
Topological Polar Surface Area:43.4
Heavy Atom Count:21
Complexity:401
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl α-oxo-2,4-bis(trifluoromethyl)benzeneacetate

SDS

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