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5521-55-1

Name 5-Methyl-2-pyrazinecarboxylic acid
CAS 5521-55-1
EINECS(EC#) 413-260-9
Molecular Formula C6H6N2O2
MDL Number MFCD00068241
Molecular Weight 138.12
MOL File 5521-55-1.mol
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Chemical Properties

Appearance Pale Brown Powder
Melting point  167-171 °C(lit.)
Boiling point  253.51°C (rough estimate)
density  1.3471 (rough estimate)
refractive index  1.5100 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Amorphous Powder
pka 3.53±0.10(Predicted)
color  Orange
BRN  116005
InChI InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey RBYJWCRKFLGNDB-UHFFFAOYSA-N
SMILES C1(C(O)=O)=NC=C(C)N=C1
LogP -0.254 (est)
CAS DataBase Reference 5521-55-1(CAS DataBase Reference)
NIST Chemistry Reference 2-Methylpyrazine-5-carboxylic acid(5521-55-1)

Safety Data

Hazard Codes  Xi
Risk Statements 
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
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
HS Code  29339900

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