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3-Fluorobenzoylacetonitrile

3-Fluorobenzoylacetonitrile structure

CAS No:
21667-61-8
Formula:
C9H6FNO
Chemical Name:
3-Fluorobenzoylacetonitrile
Synonyms:
3-FLUOROBENZOYLACETONITRILE;3-(3'-FLUOROPHENYL)-3-OXOPROPANENITRILE;3-Fluorobenzoylacetonitrile ,98%;3-Oxo-3-(3-fluorophenyl)propanenitrile;3-(3-Fluoro-phenyl)-3-oxo-propionitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-Fluorobenzoylacetonitrile Basic Attributes

Molecular Weight：

163.15

Exact Mass：

163.043335

DSSTox ID：

DTXSID90374565

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.07

Density：

1.2±0.1 g/cm3

Melting Point：

89-91ºC

Boiling Point：

304.4±22.0 °C at 760 mmHg

Flash Point：

137.9±22.3 °C

Refractive Index：

1.516

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (33.33%): 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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.15
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.043341977
Monoisotopic Mass:163.043341977
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Toluene

Ethyl acetate

Sodium bicarbonate

Ethanol

Acetic acid

Acetonitrile

Hydrochloric acid

Thionyl chloride

PETROLEUM ETHER

Potassium tert-butoxide

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3-Fluorobenzoylacetonitrile

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CAS No.: 21667-61-8

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Content: 99%

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Guide of 3-Fluorobenzoylacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
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3-Fluorobenzoylacetonitrile

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