1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl-

Base Information

• Chemical Name: 1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl-
• CAS No.: 131020-47-8
• Molecular Formula: C9H11ClN2O
• Molecular Weight: 198.64944
• DSSTox Substance ID: DTXSID30443709
• Mol file: 131020-47-8.mol

Synonyms:131020-47-8;1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl- (9CI);2-Methyl-4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carbonyl chloride;2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride;1H-BENZIMIDAZOLE-5-CARBONYL CHLORIDE, 4,5,6,7-TETRAHYDRO-2-METHYL-;DTXSID30443709;HPFSMLCHPXXWJD-UHFFFAOYSA-N

Chemical Property of 1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl-

Chemical Property:

• Boiling Point: 417.2±45.0 °C(Predicted)
• PKA: 15.06±0.40(Predicted)
• PSA: 45.75000
• Density: 1.322±0.06 g/cm3(Predicted)
• LogP: 1.58840
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.0559907
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1)CC(CC2)C(=O)Cl