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1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone

1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone structure

CAS No:
149105-10-2
Formula:
C10H9F3O2
Chemical Name:
1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone

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1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone Basic Attributes

Molecular Weight：

218.17200

Exact Mass：

218.05546401

DSSTox ID：

DTXSID40379500

HScode：

2914700090

Characteristics

PSA：

26.30000

XLogP3：

2.91660

Density：

1.222g/cm3

Boiling Point：

259.2ºC at 760mmHg

Flash Point：

107.3ºC

Refractive Index：

1.449

Vapor Pressure：

0.0131mmHg at 25°C

Safety Information

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 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:218.17
XLogP3:2.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:218.05546401
Monoisotopic Mass:218.05546401
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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