Benzoic acid,2-(1H-imidazol-1-yl)- supplier

Name
2-(1H-IMIDAZOL-1-YL)BENZOIC ACID
EINECS
CAS No. 159589-67-0
Article Data5
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 198 °C
Formula C₁₀H₈N₂O₂
Boiling Point 408.7 °C at 760 mmHg
Molecular Weight 188.18
Flash Point 201 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(2-Carboxyphenyl)-1H-imidazole;
PSA 55.12000
LogP 1.57050

Benzoic acid,2-(1H-imidazol-1-yl)- Specification

The Benzoic acid,2-(1H-imidazol-1-yl)- is an organic compound with the formula C₁₀H₈N₂O₂. The systematic name of this chemical is 2-(1H-Imidazol-1-yl)benzoic acid. The CAS registry number of this chemical is 159589-67-0. The product's categories are Acids and Derivatives; Heterocycles. Besides, its molecular weight is 188.18.

Physical properties about Benzoic acid,2-(1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): -0.75; (3)ACD/LogD (pH 7.4): -1.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.12 Å²; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 52.24 cm³; (14)Molar Volume: 146.5 cm³; (15)Polarizability: 20.71×10^-24 cm³; (16)Surface Tension: 53.2 dyne/cm; (17)Density: 1.28 g/cm³; (18)Flash Point: 201 °C; (19)Enthalpy of Vaporization: 69.68 kJ/mol; (20)Boiling Point: 408.7 °C at 760 mmHg; (21)Vapour Pressure: 2.05E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H8N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H,(H,13,14)
(2)InChIKey: JLUJWVALPVZBOU-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H,(H,13,14)
(4)Std. InChIKey: JLUJWVALPVZBOU-UHFFFAOYSA-N

Product Name

2-(1H-IMIDAZOL-1-YL)BENZOIC ACID

Benzoic acid,2-(1H-imidazol-1-yl)- Specification

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