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2-Chloro-5-nitrobenzonitrile

2-Chloro-5-nitrobenzonitrile structure

CAS No:
16588-02-6
Formula:
C7H3ClN2O2
Chemical Name:
2-Chloro-5-nitrobenzonitrile
Synonyms:
Benzonitrile,2-chloro-5-nitro-;2-Chloro-5-nitrobenzonitrile;6-Chloro-3-nitrobenzonitrile;2-Chloro-5-nitrobenzenenitrile;1-Chloro-2-cyano-4-nitrobenzene;NSC 28973
Categories:
Organic Chemistry > Nitrile Compound

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Description

LIGHT YELLOW CRYSTALLINE POWDER

2-Chloro-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

182.56

Exact Mass：

182.56

BRN：

1818642

EC Number：

240-643-6

NSC Number：

28973

HScode：

29269090

Characteristics

PSA：

69.6

XLogP3：

2.2

Appearance：

Slightly yellow solid.

Density：

1.6133 (rough estimate)

Melting Point：

108-109 °C @ Solvent: Ethanol

Boiling Point：

122 °C / 0.6mmHg

Flash Point：

135.4±23.7 °C

Refractive Index：

1.5557 (estimate)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Hazard category：

IRRITANT

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-36

RTECS Number：

DI3040000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H312 (86.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-5-nitrobenzonitrile Use and Manufacturing

Methods of Manufacturing

Obtained by nitration of o-chlorobenzonitrile.

Uses

Intermediate of the dye Disperse Red S-FL.

Computed Properties

Molecular Weight:182.56
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Exact Mass:181.9883050
Monoisotopic Mass:181.9883050
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2-Chlorobenzonitrile

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Guide of 2-Chloro-5-nitrobenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Latest News
Learn More Other Chemicals

2-Chloro-5-nitrobenzonitrile

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