Related Searches: 5-Methylpyrazine-2-carboxylic acid, 5-Bromopyridine-2-carboxylic acid, Indole-5-carboxylic acid, 2-methylpyrazine, 4-AMINO-2-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID, View all

5-Methylpyrazine-2-carboxylic acid(CAS No. 5521-55-1)

5-Methylpyrazine-2-carboxylic acid C6H6N2O2 (cas 5521-55-1) Molecular Structure

5521-55-1 Structure

Identification and Related Records

【Name】
5-Methylpyrazine-2-carboxylic acid
【Iupac name】
5-methylpyrazine-2-carboxylic acid
【CAS Registry number】
5521-55-1
【Synonyms】
3-Carboxy-5-methylpyrazine
5-methyl-pyrazinecarboxylicaci
5MPZA
5-METHYL-2-PYRAZINECARBOXYLIC ACID
2-METHYL-5-PYRAZINE CARBOXYLIC ACID
2-METHYL-5-PYRAZINOIC ACID
2-METHYLPYRAZINE-5-CARBOXYLIC ACID
5-Methylpyrazine-2-carobxylic acid
【EINECS(EC#)】
413-260-9
【Molecular Formula】
C6H6N2O2 (Products with the same molecular formula)
【Molecular Weight】
138.12
【Inchi】
InChI=1/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
【Canonical SMILES】
CC1=NC=C(N=C1)C(=O)O
【MOL File】
5521-55-1.mol

Chemical and Physical Properties

【Appearance】
Pale Brown Powder
【Density】
1.319 g/cm3
【Melting Point】
166-169℃
【Boiling Point】
316.5 °C at 760 mmHg
【Flash Point】
145.2 °C
【HS Code】
29339990
【Storage temp】
-20?C Freezer
【Computed Properties】
Molecular Weight:138.12404 [g/mol]
Molecular Formula:C6H6N2O2
XLogP3:0.4
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:138.042927
MonoIsotopic Mass:138.042927
Topological Polar Surface Area:63.1
Heavy Atom Count:10
Formal Charge:0
Complexity:138
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:4
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R41
【Safety Statements 】
S26;S39
【Hazard Note】

Irritant

【Safety】

Hazard Codes: :IrritantXi
Risk Statements: 41-36/37/38
R41:Risk of serious damage to the eyes.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S39:Wear eye / face protection.?
S36:Wear suitable protective clothing.
WGK Germany: 1
Hazard Note: Irritant

【Transport】
OTH
【Specification】

?5-Methyl-2-pyrazinecarboxylic acid (CAS NO.5521-55-1) is a pale brown powder, it can be made by 2,5-2-methyl or 2-methyl-5-(substituted) methyl pyrazine electrolytic oxidation .Preparation Products are?Acipimox , raw material is ?2-Methylpyrazine .

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