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CAS No.: | 40332-17-0 |
---|---|
Name: | (2-Methylbenzoimidazol-1-yl)acetic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.202 |
Synonyms: | TIMTEC-BB SBB010829;ZERENEX E/5046020;(2-METHYL-1H-BENZIMIDAZOL-1-YL)ACETIC ACID;(2-METHYL-BENZOIMIDAZOL-1-YL)ACETIC ACID;(2-methyl-benzoimidazol-1-yl)-acetic acid 0.5 hydrate;1H-Benzimidazole-1-aceticacid,2-methyl-(9CI);2-METHYL-1H-BENZIMIDAZOLE-1-ACETIC ACID;2-(2-Methyl-1H-benzo[d]imidazol-1-yl)acetic acid |
Density: | 1.3 g/cm3 |
Melting Point: | 260 °C |
Boiling Point: | 431.7 °C at 760 mmHg |
Flash Point: | 214.9 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 22-26-36/37/39 |
PSA: | 55.12000 |
LogP: | 1.42930 |
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The (2-Methylbenzoimidazol-1-yl)acetic acid is an organic compound with the formula C10H10N2O2. The systematic name of this chemical is (2-methyl-1H-benzimidazol-1-yl)acetic acid. With the CAS registry number 40332-17-0, it is also named as 1H-Benzimidazole-1-acetic acid, 2-methyl-. The product's category is Benzimidazole.
Physical properties about (2-Methylbenzoimidazol-1-yl)acetic acid are: (1)ACD/LogP: 1.63; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.79; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 44.12 Å2; (10)Index of Refraction: 1.633; (11)Molar Refractivity: 52.05 cm3; (12)Molar Volume: 145.7 cm3; (13)Polarizability: 20.63×10-24cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.3 g/cm3; (16)Flash Point: 214.9 °C; (17)Enthalpy of Vaporization: 72.46 kJ/mol; (18)Boiling Point: 431.7 °C at 760 mmHg; (19)Vapour Pressure: 3.21E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cn1c2ccccc2nc1C
(2)InChI: InChI=1/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
(3)InChIKey: SMGBDFGKVGSCGB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
(5)Std. InChIKey: SMGBDFGKVGSCGB-UHFFFAOYSA-N