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14508-49-7

Basic Information
CAS No.: 14508-49-7
Name: 2-Chloropyrazine
Article Data: 25
Molecular Structure:
Molecular Structure of 14508-49-7 (2-Chloropyrazine)
Formula: C4H3ClN2
Molecular Weight: 114.534
Synonyms: Pyrazine,chloro- (6CI,7CI,8CI,9CI);Pyrazine,2-chloro-;Chloropyrazine;Pyrazin-2-ylchloride;
EINECS: 238-517-0
Density: 1.303 g/cm3
Melting Point: 153~154℃
Boiling Point: 155.3 °C at 760 mmHg
Flash Point: 57 °C
Solubility: insoluble in water
Appearance: clear colorless to yellowish liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
Transport Information: UN 1993 3/PG 3
PSA: 25.78000
LogP: 1.13000
Synthetic route
24387-68-6

2-hydroxypyrazine sodium salt

14508-49-7

2-chloropyrazin

Conditions
ConditionsYield
With thionyl chloride; N-ethyl-N,N-diisopropylamine In chloroform at 65℃; for 2h; Reagent/catalyst;95.4%
6270-63-9

pyrazin-2-ol

14508-49-7

2-chloropyrazin

Conditions
ConditionsYield
With dmap; thionyl chloride; bis(trichloromethyl) carbonate for 10.5h; Reflux; Green chemistry;89%
With trichlorophosphate for 0.666667h; Heating;84%
With trichlorophosphate
98-97-5

2-pyrazylcarboxylic acid

14508-49-7

2-chloropyrazin

Conditions
ConditionsYield
With thionyl chloride In pyridine; para-tert-butylphenol; benzene75%
2423-65-6

Pyrazin-N-Oxid(PyzNO)

14508-49-7

2-chloropyrazin

Conditions
ConditionsYield
With trichlorophosphate at 70℃; for 2h;37%
With trichlorophosphate35%
2423-65-6

Pyrazin-N-Oxid(PyzNO)

A

14508-49-7

2-chloropyrazin

B

Pyrazine 1-oxide; hydrochloride

C

1-(2-pyrazinyl) pyrazinium salt

Conditions
ConditionsYield
With trichlorophosphate for 0.5h; Product distribution; Ambient temperature;A 13%
B 30%
C n/a
290-37-9

1,4-pyrazine

14508-49-7

2-chloropyrazin

Conditions
ConditionsYield
With chlorine at 500℃;
With water; chlorine at 450℃;
6270-63-9

pyrazin-2(1H)-one

14508-49-7

2-chloropyrazin

Conditions
ConditionsYield
With phosphorus pentachloride; trichlorophosphate
With trichlorophosphate
288-32-4

1H-imidazole

67-66-3

chloroform

A

14508-49-7

2-chloropyrazin

B

17180-94-8

5-chloropyrimidine

Conditions
ConditionsYield
at 550℃; Yield given. Yields of byproduct given;
616-47-7

1-methyl-1H-imidazole

67-66-3

chloroform

A

14508-49-7

2-chloropyrazin

B

4513-94-4

1H-pyrrole-2-carbonitrile

C

17180-94-8

5-chloropyrimidine

D

51269-82-0

5-chloronicotinonitrile

Conditions
ConditionsYield
at 550℃; Yield given. Further byproducts given. Yields of byproduct given;
616-47-7

1-methyl-1H-imidazole

67-66-3

chloroform

A

14508-49-7

2-chloropyrazin

B

17180-94-8

5-chloropyrimidine

C

89809-64-3

2-cyano-5-chloropyridine

D

51269-82-0

5-chloronicotinonitrile

Conditions
ConditionsYield
at 550℃; Yield given. Further byproducts given. Yields of byproduct given;
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Chemistry

Molecular Structure of 2-Chloropyrazine (CAS NO.14508-49-7):

IUPAC Name: 2-Chloropyrazine
Molecular Formula: C4H3ClN2
Molecular Weight: 114.53 g/mol
Density: 1.303 g/cm3
Flash Point: 57.8 °C
Boiling Point: 155.3 °C at 760 mmHg 
Water Solubility: insoluble
Index of Refraction: 1.534
Molar Refractivity: 27.33 cm3
Molar Volume: 87.8 cm3
Surface Tension: 48.2 dyne/cm 
XLogP3: 0.7
H-Bond Acceptor: 2
Exact Mass: 113.998476
MonoIsotopic Mass: 113.998476
Topological Polar Surface Area: 25.8
Heavy Atom Count: 7 
Canonical SMILES: C1=CN=C(C=N1)Cl
InChI: InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H
InChIKey: GELVZYOEQVJIRR-UHFFFAOYSA-N
EINECS: 238-517-0
Product Categories: Halides; Heterocycles; Pyrazines; Pyrazine; Chloropyrazines, etc.; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; PyrazinesHeterocyclic Building Blocks 

Uses

 2-Chloropyrazine (CAS NO.14508-49-7) is used as intermediates of medicine and pesticide.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
HazardClass: 3
PackingGroup: III
HS Code: 29339990

Specification

 2-Chloropyrazine (CAS NO.14508-49-7) is also named as Chloropyrazine ; Pyrazine, 2-chloro- ; Pyrazine, chloro- . 2-Chloropyrazine (CAS NO.14508-49-7) is clear colorless to yellowish liquid.