Cas no 62366-47-6 (1H-Benzimidazole-2-carbonyl chloride, 1-methyl-)
62366-47-6 structure
Product Name:1H-Benzimidazole-2-carbonyl chloride, 1-methyl-
CAS No:62366-47-6
MF:C9H7ClN2O
MW:194.61768078804
CID:447812
PubChem ID:20543227
Update Time:2025-04-19
1H-Benzimidazole-2-carbonyl chloride, 1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carbonyl chloride, 1-methyl-
- 1-METHYL-1H-BENZIMIDAZOLE-2-CARBONYL CHLORIDE,97
- 1-methylbenzimidazole-2-carbonyl chloride
- 1-methyl-1H-benzo[d]imidazole-2-carbonyl chloride
- SCHEMBL3534177
- DTXSID80608528
- 1-METHYL-1H-BENZIMIDAZOLE-2-CARBONYL CHLORIDE
- 62366-47-6
- MFCD04972623
- IOTXLDAZFMUJIC-UHFFFAOYSA-N
-
- Inchi： 1S/C9H7ClN2O/c1-12-7-5-3-2-4-6(7)11-9(12)8(10)13/h2-5H,1H3
- InChI Key： IOTXLDAZFMUJIC-UHFFFAOYSA-N
- SMILES： ClC(C1=NC2C=CC=CC=2N1C)=O
Computed Properties
- Exact Mass: 194.02481
- Monoisotopic Mass: 194.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Benzimidazole-2-carbonyl chloride, 1-methyl- Security Information
- Hazardous Material transportation number：3261
- Hazard Category Code： 34
- Safety Instruction： 26-36/37/39
-
Hazardous Material Identification：
- Risk Phrases：R34
- Safety Term：S26;S36/37/39;S45
1H-Benzimidazole-2-carbonyl chloride, 1-methyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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