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Pyrazinecarbonitrile

Pyrazinecarbonitrile structure

CAS No:
19847-12-2
Formula:
C5H3N3
Chemical Name:
Pyrazinecarbonitrile
Synonyms:
2-Pyrazinecarbonitrile;Pyrazinecarbonitrile;Pyrazinonitrile;2-Cyanopyrazine;Pyrazinenitrile;Cyanopyrazine;Pyrazinyl cyanide;NSC 166137;NSC 72371
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Colorless liquid

Cyanopyrazine is a member of pyrazines and a nitrile.

Pyrazinecarbonitrile Basic Attributes

Molecular Weight：

105.1

Exact Mass：

105.10

BRN：

110008

EC Number：

243-369-5

UNII：

74CP756B49

NSC Number：

166137|72371

DSSTox ID：

DTXSID9066540

HScode：

29339990

Characteristics

PSA：

49.6

XLogP3：

Appearance：

Clear colorless to yellow Liquid

Density：

1.174 g/mL at 25 °C(lit.)

Melting Point：

20 °C

Boiling Point：

87 °C

Flash Point：

206 °F

Refractive Index：

n 20/D 1.534(lit.)

Water Solubility：

Slightly soluble in water.

Storage Conditions：

-20°C

Vapor Pressure：

0.0834mmHg at 25°C

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

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.87%): 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, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cyanopyrazine

Pyrazinecarbonitrile Use and Manufacturing

Methods of Manufacturing

General procedure: Following the amide intermediate Preparation Example A. The reaction vessel is closed (when the amide intermediate has a boiling point at normal pressure equal to or lower than the reaction temperature TB described below) or the reaction vessel is kept open (when the amide intermediate has a boiling point higher than the normal pressure When the reaction temperature is TB), the stirring is continued (600 r/min), the reaction temperature is changed to TB, and after the reaction temperature TB is maintained for TD hours, the reaction is almost complete. Then, the reaction vessel was sealed and connected to a vacuum pump so that the degree of vacuum in the reaction vessel reached 20-50 mbar (according to the type of nitrile product) and the distillate was used as the nitrile product. The yield of the nitrile product was calculated and sampled for nuclear magnetic proteomics and elemental analysis to characterize the nitrile product obtained. Specific reaction conditions and characterization results are shown in Tables A-7, A-8, A-9, A-10 and A-11 below. These characterization results show that the nitrile product obtained has an extremely high purity (above 99percent).In these nitrile product preparation examples, 10 g of diphosphorus pentoxide was optionally added to the reaction vessel as a catalyst at the start of the reaction.In a dried 500 ml, three necked, jacketed flask fitted with a mechanical stirrer, temperature probe, a reflux condenser, a circulation bath, and a positive nitrogen atmosphere set-up was charged with 2-pyrazinecarboxamide 20.0 gm (0.162 mol), acetonitrile 240 ml, and POCl

Uses

Mainly used as pharmaceutical raw materials, chemical intermediates, etc.

Manufacturing Info：

2-Pyrazinecarbonitrile: ACTIVE

Computed Properties

Molecular Weight:105.10
Hydrogen Bond Acceptor Count:3
Exact Mass:105.032697108
Monoisotopic Mass:105.032697108
Topological Polar Surface Area:49.6
Heavy Atom Count:8
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Pyridine

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Guide of Pyrazinecarbonitrile

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Pyrazinecarbonitrile

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