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  • Methyl pyrazine-2-carboxylate
Name:Methyl pyrazine-2-carboxylate
CAS No:6164-79-0

PRODUCT DESCRIPTION

【Name】
Methyl pyrazine-2-carboxylate
【Iupac name】
methyl pyrazine-2-carboxylate
【CAS Registry number】
6164-79-0
【Synonyms】
Methyl pyrazinecarboxylate
Pyrazinecarboxylic acid methyl ester
Methyl pyrazinoate~Pyrazinecarboxylic acid methyl ester
【EINECS(EC#)】
228-198-6
【Molecular Formula】
C6H6N2O2 (Products with the same molecular formula)
【Molecular Weight】
138.12
【Inchi】
InChI=1/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
【Canonical SMILES】
COC(=O)C1=NC=CN=C1
【MOL File】
6164-79-0.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.213 g/cm3
【Melting Point】
57-59℃
【Boiling Point】
220.4 °C at 760 mmHg
【Refractive Index】
1.513
【Flash Point】
87.1 °C
【Computed Properties】
Molecular Weight:138.12404 [g/mol]
Molecular Formula:C6H6N2O2
XLogP3:-0.2
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:138.042927
MonoIsotopic Mass:138.042927
Topological Polar Surface Area:52.1
Heavy Atom Count:10
Formal Charge:0
Complexity:127
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
36/37/38
【Safety Statements 】
S22;S24/25
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Safty information about 2-Pyrazinecarboxylic acid, methyl ester (CAS NO.6164-79-0) is:
Hazard Codes: IrritantXi 
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
WGK Germany: 3
Hazard Note: Irritant

【Specification】

 2-Pyrazinecarboxylic acid, methyl ester , its cas register number is 6164-79-0. It also can be called Methyl 2-pyrazinecarboxylate ; Methyl pyrazinecarboxylate ; Methyl pyrazinoate ; NSC 32337 ; Pyrazine-2-carboxylic acid, methyl ester ; Pyrazinoic acid methyl ester ; Pyrazinecarboxylic acid, methyl ester ; Methyl pyrazinecarboxylate .

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