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3-Fluorobenzonitrile

3-Fluorobenzonitrile structure

CAS No:
403-54-3
Formula:
C7H4FN
Chemical Name:
3-Fluorobenzonitrile
Synonyms:
Benzonitrile,3-fluoro-;Benzonitrile,m-fluoro-;3-Fluorobenzonitrile;m-Fluorobenzonitrile;m-Cyanofluorobenzene;m-Fluorobenzonitrile;NSC 88310;3-Fluorobenzenenitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear colorless to yellow liquid

3-Fluorobenzonitrile Basic Attributes

Molecular Weight：

121.11

Exact Mass：

121.11

BRN：

1858941

EC Number：

206-963-5

NSC Number：

88310

DSSTox ID：

DTXSID0059954

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

1.5

Appearance：

Clear colorless to yellow Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

-16 °C

Boiling Point：

182.5 °C

Flash Point：

154 °F

Refractive Index：

1.511

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.000903mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 3

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

3-Fluorobenzonitrile Use and Manufacturing

Uses

Pharmaceutical, pesticide, liquid crystal material intermediate

Manufacturing Info：

Benzonitrile, 3-fluoro-: ACTIVE

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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