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2-Fluorobenzonitrile

2-Fluorobenzonitrile structure

CAS No:
394-47-8
Formula:
C7H4FN
Chemical Name:
2-Fluorobenzonitrile
Synonyms:
Benzonitrile,2-fluoro-;Benzonitrile,o-fluoro-;2-Fluorobenzonitrile;o-Fluorobenzonitrile;o-Cyanofluorobenzene;2-Cyanofluorobenzene;2-Fluorocyanobenzene;NSC 88278;2-Fluorobenzenenitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

colorless to light yellow liquid

2-Fluorobenzonitrile Basic Attributes

Molecular Weight：

121.11

Exact Mass：

121.11

BRN：

2042184

EC Number：

206-897-7

NSC Number：

88278

DSSTox ID：

DTXSID6059942

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

1.5

Appearance：

Clear colorless to light brownish Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

-13.7 °C

Boiling Point：

90 °C @ Press: 21 Torr

Flash Point：

165 °F

Refractive Index：

1.511

Water Solubility：

H2O: Insoluble

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

IRRITANT, IRRITANT-HARMFUL

Transport codes：

3276

wgk germany：

hazard class code：

22-37/38-41-36/37/38-20/21/22

safety instructions：

26-39-36/37/39-36

Marks：

Xn,T,Xi

Hazard note：

Toxic

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

2-Fluorobenzonitrile Use and Manufacturing

Uses

Used as medicine and pesticide intermediate

Manufacturing Info：

Benzonitrile, 2-fluoro-: INACTIVE

Computed Properties

Molecular Weight:121.11
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:121.032777294
Monoisotopic Mass:121.032777294
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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