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Basic Information
CAS No.: 80304-50-3
Name: 1-BENZYL-5-HYDROXYMETHYL-1H-IMIDAZOLE
Article Data: 21
Molecular Structure:
Molecular Structure of 80304-50-3 (1-BENZYL-5-HYDROXYMETHYL-1H-IMIDAZOLE)
Formula: C11H12 N2 O
Molecular Weight: 188.229
Synonyms: 1-Benzyl-5-(hydroxymethyl)imidazole;1-Benzyl-5-hydroxymethyl-1H-imidazole
Density: 1.13g/cm3
Melting Point: 133-134oC
Boiling Point: 402.2°Cat760mmHg
Flash Point: 197°C
Hazard Symbols: Xn
Risk Codes: 36/37/38-22
PSA: 38.05000
LogP: 1.42370
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Chemistry

IUPAC Name: (3-Benzylimidazol-4-yl)methanol
Synonyms of (3-Benzylimidazol-4-yl)methanol (CAS NO.80304-50-3): (1-Benzyl-1H-imidazol-5-yl)methanol
CAS NO: 80304-50-3
Molecular Formula: C11H12N2O
Molecular Weight: 188.2258
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 27.05 Å2
Index of Refraction: 1.592
Molar Refractivity: 56 cm3
Molar Volume: 165.4 cm3
Surface Tension: 45.2 dyne/cm
Density: 1.13 g/cm3
Flash Point: 197 °C
Enthalpy of Vaporization: 68.89 kJ/mol
Boiling Point: 402.2 °C at 760 mmHg
Vapour Pressure: 3.44E-07 mmHg at 25°C
Melting Point: 133-134°C
SMILES: OCc1cncn1Cc2ccccc2
InChI: InChI=1/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKey: GQZILHANXWXTIW-UHFFFAOYAY
Std. InChI: InChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
Std. InChIKey: GQZILHANXWXTIW-UHFFFAOYSA-N
Product Categories of (3-Benzylimidazol-4-yl)methanol (CAS NO.80304-50-3): blocks;Imidazoles;Heterocycles series;Hydroxymethyl's;Imidazoles & Benzimidazoles;Imidazol&Benzimidazole;Imidazoles & Benzimidazoles

Safety Profile

Risk Statements: 36/37/38
R36/37/38: (3-Benzylimidazol-4-yl)methanol (CAS NO.80304-50-3) is 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. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.