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2-TRIFLUOROMETHYLBENZOYLACETONITRILE

2-TRIFLUOROMETHYLBENZOYLACETONITRILE structure

CAS No:
40018-10-8
Formula:
C10H6F3NO
Chemical Name:
2-TRIFLUOROMETHYLBENZOYLACETONITRILE
Synonyms:
2-TRIFLUOROMETHYLBENZOYLACETONITRILE;3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile;3-Oxo-3-[2-(Trifluoromethyl)Phenyl]Propanenitrile;3-Oxo-3-(2-trifluoromethyl-phenyl)-propionitrile;PubChem12078;SCHEMBL740028;CTK4I2275;DTXSID40504996;ZINC2579789;1906AJ

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2-TRIFLUOROMETHYLBENZOYLACETONITRILE Basic Attributes

Molecular Weight：

213.15600

Exact Mass：

213.04000

DSSTox ID：

DTXSID40504996

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.80178

Density：

1.296g/cm3

Boiling Point：

308.9ºC at 760 mmHg

Flash Point：

140.6ºC

Refractive Index：

1.469

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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:213.16
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:213.04014830
Monoisotopic Mass:213.04014830
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-TRIFLUOROMETHYLBENZOYLACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-TRIFLUOROMETHYLBENZOYLACETONITRILE

SDS

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