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CAS No.: | 906352-57-6 |
---|---|
Name: | 1-Methyl-1H-benzimidazole-5-carbonyl chloride hydrochloride |
Molecular Structure: | |
Formula: | C9H8Cl2N2O |
Molecular Weight: | 231.081 |
Synonyms: | 1H-Benzimidazole-5-carbonylchloride, 1-methyl-, monohydrochloride (9CI); |
Melting Point: | 227.5-231.5°C |
Boiling Point: | 368 °C at 760 mmHg |
Flash Point: | 176.4 °C |
Hazard Symbols: | C |
PSA: | 34.89000 |
LogP: | 2.75430 |
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The 1H-Benzimidazole-5-carbonylchloride, 1-methyl-, hydrochloride (1:1), with CAS registry number 906352-57-6, has the systematic name of 1-methylbenzimidazole-5-carbonyl chloride hydrochloride. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C9H8Cl2N2O.
Physical properties of 1H-Benzimidazole-5-carbonylchloride, 1-methyl-, hydrochloride (1:1): (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.89 Å2; (7)Flash Point: 176.4 °C; (8)Enthalpy of Vaporization: 62.67 kJ/mol; (9)Boiling Point: 368 °C at 760 mmHg; (10)Vapour Pressure: 9.03E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cnc2c1ccc(c2)C(=O)Cl.Cl
(2)InChI: InChI=1/C9H7ClN2O.ClH/c1-12-5-11-7-4-6(9(10)13)2-3-8(7)12;/h2-5H,1H3;1H
(3)InChIKey: SGNORNZSRSQMEE-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7ClN2O.ClH/c1-12-5-11-7-4-6(9(10)13)2-3-8(7)12;/h2-5H,1H3;1H
(5)Std. InChIKey: SGNORNZSRSQMEE-UHFFFAOYSA-N