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Basic Information
CAS No.: 6705-33-5
Name: 2-Pyrazinylmethanol
Molecular Structure:
Molecular Structure of 6705-33-5 (2-Pyrazinylmethanol)
Formula: C5H6N2O
Molecular Weight: 110.115
Synonyms: Pyrazinemethanol(6CI,7CI,8CI,9CI);(Hydroxymethyl)pyrazine;2-(Hydroxymethyl)pyrazine;Pyrazin-2-ylmethanol;
Density: 1.227 g/cm3
Melting Point: 38.5 °C
Boiling Point: 231.9 °C at 760 mmHg
Flash Point: 94.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39-24/25
PSA: 46.01000
LogP: -0.03110
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  • 2-Pyrazinylmethanol

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    2-Pyrazinylmethanol

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  • Pyrazin-2-ylmethanol

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    Pyrazin-2-ylmethanol

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  • 2-Pyrazinylmethanol

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    6705-33-5

    2-Pyrazinylmethanol

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Chemistry

Molecule structure of 2-Pyrazinemethanol (CAS NO.6705-33-5):

IUPAC Name: Pyrazin-2-ylmethanol 
Molecular Weight: 110.11394 g/mol
Molecular Formula: C5H6N2O 
Density: 1.227 g/cm3 
Melting Point: 38.5 °C
Boiling Point: 231.9 °C at 760 mmHg 
Flash Point: 94.1 °C
Index of Refraction: 1.557
Molar Refractivity: 28.88 cm3
Molar Volume: 89.6 cm3
Polarizability: 11.45×10-24 cm3
Surface Tension: 59.4 dyne/cm 
Enthalpy of Vaporization: 49.52 kJ/mol
Vapour Pressure: 0.0339 mmHg at 25 °C 
XLogP3: -1
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 110.048013
MonoIsotopic Mass: 110.048013
Topological Polar Surface Area: 46
Heavy Atom Count: 8
Canonical SMILES: C1=CN=C(C=N1)CO
InChI: InChI=1S/C5H6N2O/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2
InChIKey: LFCWHDGQCWJKCG-UHFFFAOYSA-N
Product Categories of 2-Pyrazinemethanol (CAS NO.6705-33-5): Hydroxymethyl's; Pyrazines, Pyrimidines & Pyridazines; Pyrazines; Pyrazines, Pyrimidines & Pyridazines

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
 

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S24/25:Avoid contact with skin and eyes.
Hazard Note: Irritant

Specification

 2-Pyrazinemethanol (CAS NO.6705-33-5) is also named as 2-Hydroxymethylpyrazine ; 5-23-11-00154 (Beilstein Handbook Reference) ; BRN 0110057 ; Pyrazinemethanol .