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Pentafluorobenzonitrile

Pentafluorobenzonitrile structure

CAS No:
773-82-0
Formula:
C7F5N
Chemical Name:
Pentafluorobenzonitrile
Synonyms:
Benzonitrile,2,3,4,5,6-pentafluoro-;Benzonitrile,pentafluoro-;2,3,4,5,6-Pentafluorobenzonitrile;Pentafluorobenzonitrile;Perfluorobenzonitrile;Pentafluorocyanobenzene;Cyanopentafluorobenzene;Pentafluorophenyl cyanide;NSC 88294
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

Pentafluorobenzonitrile Basic Attributes

Molecular Weight：

193.07

Exact Mass：

193.07

BRN：

1913453

EC Number：

212-259-9

UNII：

68CN7ME67X

NSC Number：

88294

DSSTox ID：

DTXSID9061126

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

2.1

Appearance：

White Crystal

Density：

1.6±0.1 g/cm3

Melting Point：

2.4 °C

Boiling Point：

162 °C

Flash Point：

85 °F

Refractive Index：

1.427

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

safety instructions：

Marks：

Xi,F,T

Hazard note：

Irritant/Flammable

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 61 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Pentafluorobenzonitrile Use and Manufacturing

Uses

Pharmaceutical, pesticide, liquid crystal material intermediate

Manufacturing Info：

Benzonitrile, 2,3,4,5,6-pentafluoro-: ACTIVE

Computed Properties

Molecular Weight:193.07
XLogP3:2.1
Hydrogen Bond Acceptor Count:6
Exact Mass:192.99508981
Monoisotopic Mass:192.99508981
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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