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3-Fluorobenzeneacetonitrile

3-Fluorobenzeneacetonitrile structure

CAS No:
501-00-8
Formula:
C8H6FN
Chemical Name:
3-Fluorobenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3-fluoro-;Acetonitrile,(m-fluorophenyl)-;3-Fluorobenzeneacetonitrile;3-Fluorobenzyl cyanide;(m-Fluorophenyl)acetonitrile;(3-Fluorophenyl)acetonitrile;m-Fluorobenzyl cyanide;m-Fluorobenzyl nitrile;NSC 88318;2-(3-Fluorophenyl)acetonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear light yellow to slightly brown liquid

3-Fluorobenzeneacetonitrile Basic Attributes

Molecular Weight：

135.14

Exact Mass：

135.14

BRN：

1861071

EC Number：

207-918-2

NSC Number：

88318

DSSTox ID：

DTXSID4060107

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

Appearance：

Colorless transparent liquid

Density：

1.1±0.1 g/cm3

Boiling Point：

124-126 °C @ Press: 10 Torr

Flash Point：

>230 °F

Refractive Index：

1.508

Storage Conditions：

Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.

Vapor Pressure：

0.0802mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-24/25-36

Marks：

Xn,Xi,T

Hazard note：

Toxic

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

3-Fluorobenzeneacetonitrile Use and Manufacturing

Methods of Manufacturing

A solution of compound 36-1 (1.0 g, 5.3 mmol) and NaCN (520 mg, 10.6 mmol) in DMSO (10 mL) was stirred at 30 Preparation of Λ3636-3 A36; Scheme 4A solution of compound 36-1 (1.0 g, 5.3 mmol) and NaCN (520 mg, 10.6 mmol) in DMSO (10 mL) was stirred at 30 °C overnight. TLC showed the reaction was completed. The mixture was diluted with water (30 mL), and extracted with ethyl acetate (50 mL). The organic layer was washed by water (10 mL x 5) and NaHCC (sat., 20 mL), dried over anhydrous Na

Uses

Used as medicine and pesticide intermediate

Manufacturing Info：

Benzeneacetonitrile, 3-fluoro-: INACTIVE

Computed Properties

Molecular Weight:135.14
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:135.048427358
Monoisotopic Mass:135.048427358
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Fluorophenylacetonitrile

CAS No.: 501-00-8

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Guide of 3-Fluorobenzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3-Fluorobenzeneacetonitrile

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