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1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone

1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone structure

CAS No:
202664-54-8
Formula:
C9H6F4O
Chemical Name:
1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone
Synonyms:
Ethanone,1-[3-fluoro-5-(trifluoromethyl)phenyl]-;1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethan-1-one
Categories:
Organic Chemistry > Coordination Complexes

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1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone Basic Attributes

Molecular Weight：

206.13700

Exact Mass：

206.14

DSSTox ID：

DTXSID60372119

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

3.04710

Density：

1.299 g/cm3

Boiling Point：

180.6ºC at 760 mmHg

Flash Point：

65.9ºC

Refractive Index：

1.449

Vapor Pressure：

0.89mmHg at 25°C

Safety Information

hazard class code：

R36/38

safety instructions：

S26-S36

Marks：

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|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:206.14
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:206.03547746
Monoisotopic Mass:206.03547746
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone

Basic Attributes
Characteristics
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Computed Properties
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