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6-Chloronicotinonitrile

6-Chloronicotinonitrile structure

CAS No:
33252-28-7
Formula:
C6H3ClN2
Chemical Name:
6-Chloronicotinonitrile
Synonyms:
3-Pyridinecarbonitrile,6-chloro-;Nicotinonitrile,6-chloro-;6-Chloro-3-pyridinecarbonitrile;2-Chloro-5-cyanopyridine;6-Chloronicotinonitrile;2-Chloro-5-pyridinecarbonitrile;6-Chloro-3-cyanopyridine;5-Cyano-2-chloropyridine;6-Chloronicotinitrile;6-Chloropyridin-3-nitrile;6-Chloropyridin-3-carbonitrile
Categories:
Agrochemicals > Pesticide Intermediates

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Description

Yellow to Brown Cryst

6-Chloronicotinonitrile Basic Attributes

Molecular Weight：

138.55

Exact Mass：

138.55

BRN：

113867

EC Number：

-0

DSSTox ID：

DTXSID80408888

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

1.5

Appearance：

white crystal powder

Density：

1.3±0.1 g/cm3

Melting Point：

115 °C

Boiling Point：

105-107°C1mm

Flash Point：

105-107°C/1mm

Refractive Index：

1.554

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：

26-36-36/37/39-37

Marks：

Xn,T,Xi

Hazard note：

Toxic

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H335

GHS Classification：

|Danger|H302 (95.83%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Chloronicotinonitrile Use and Manufacturing

Methods of Manufacturing

The preparation method is to dissolve 3-cyanopyridine in carbon tetrachloride, add a little potassium carbonate aqueous solution, stir at room temperature, and illuminate it with a high-pressure mercury lamp, pass in chlorine gas, pass the chlorine gas to the end, stratify, and use the carbon tetrachloride layer Washed with potassium carbonate aqueous solution, washed with water, and evaporated to remove carbon tetrachloride to obtain a product with a content of 85%, and then recrystallized to obtain a pure product.

Uses

2-chloro-5-cyanopyridine is an intermediate of the insecticide imidacloprid and acetamiprid.

Computed Properties

Molecular Weight:138.55
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:137.9984758
Monoisotopic Mass:137.9984758
Topological Polar Surface Area:36.7
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

3-Cyanopyridine

Phosphorus oxychloride

Ammonium hydroxide

Ethanol

Thionyl chloride

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