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14840-18-7

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Basic Information
CAS No.: 14840-18-7
Name: 3-BENZOIMIDAZOL-1-YL-PROPIONIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 14840-18-7 (3-BENZOIMIDAZOL-1-YL-PROPIONIC ACID)
Formula: C10H10N2O2
Molecular Weight: 190.202
Synonyms: 1-Benzimidazolepropionicacid (7CI,8CI);3-(1H-Benzimidazol-1-yl)propanoic acid;
Density: 1.29g/cm3
Melting Point: 212-214 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))
Boiling Point: 415.5 °C at 760 mmHg
Flash Point: 205.1 °C
Hazard Symbols:
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 55.12000
LogP: 1.51100
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Chemistry

Systematic Name: 3-(1H-Benzimidazol-1-yl)propanoic acid
Synonyms of 1H-Benzimidazole-1-propanoicacid (CAS NO.14840-18-7): 1-Benzimidazolepropionicacid (7CI,8CI) ; 3-(1H-Benzimidazol-1-yl)propanoic acid
CAS NO: 14840-18-7
Molecular Formula: C10H10N2O2
Molecular Weight: 190.2
Molecular Structure: 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 44.12 Å2
Index of Refraction: 1.631
Molar Refractivity: 52.24 cm3
Molar Volume: 146.5 cm3 
Surface Tension: 53.2 dyne/cm
Density: 1.29 g/cm3
Flash Point: 205.1 °C
Enthalpy of Vaporization: 70.49 kJ/mol
Boiling Point: 415.5 °C at 760 mmHg
Vapour Pressure: 1.2E-07 mmHg at 25°C 
Product Categories of 1H-Benzimidazole-1-propanoicacid (CAS NO.14840-18-7): BENZIMIDAZOLE 
SMILES: O=C(O)CCn1c2ccccc2nc1
InChI: InChI=1/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)
InChIKey: XKGRXBQGCQJOHQ-UHFFFAOYAV
Std. InChI: InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)
Std. InChIKey: XKGRXBQGCQJOHQ-UHFFFAOYSA-N

Safety Profile

Safety Information about 1H-Benzimidazole-1-propanoicacid (CAS NO.14840-18-7):
Hazard Codes: IrritantXi
Hazard Note: Irritant
HazardClass: IRRITANT