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ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate

ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate structure

CAS No:
1717-42-6
Formula:
C12H11F3O3
Chemical Name:
ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
Synonyms:
ethyl m-trifluoromethylbenzoylacetate; Ethyl (3-trifluoromethylbenzoyl)acetate;

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ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate Basic Attributes

Molecular Weight：

260.20900

Exact Mass：

260.06602869 g/mol

DSSTox ID：

DTXSID60366376

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

2.84130

Density：

1.267g/cm3

Boiling Point：

267.2ºC

Flash Point：

111.9ºC

Refractive Index：

n20/D 1.4850(lit.)

Vapor Pressure：

0.00399mmHg at 25°C

Safety Information

wgk germany：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:260.21
XLogP3:2.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:260.06602869
Monoisotopic Mass:260.06602869
Topological Polar Surface Area:43.4
Heavy Atom Count:18
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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