1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid

Base Information

• Chemical Name: 1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid
• CAS No.: 306935-42-2
• Molecular Formula: C12H11F3N2O2
• Molecular Weight: 272.22
• Hs Code.: 2933990090
• European Community (EC) Number: 672-995-5
• DSSTox Substance ID: DTXSID40379464
• Wikidata: Q82169287
• Mol file: 306935-42-2.mol

Synonyms:306935-42-2;1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid;1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(propan-2-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylic acid;Maybridge1_005158;SCHEMBL3891661;HMS556C10;DTXSID40379464;AHTNGRMQJZPRNL-UHFFFAOYSA-N;CCG-56376;MFCD01570675;AKOS005876725;PS-6882;CS-0205942;FT-0607978;FT-0638929;EN300-78801;A820515;J-504819;SR-01000645338-1;BRD-K97162418-001-01-1;Z381362900;1,3,4-OXADIAZOL-2(3H)-ONE,5-(4-BROMOPHENYL)-;1-isopropyl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-isopropyl-2-trifluoromethyl-1h-benzoimidazole-5-carboxylic acid;1-(Propan-2-yl)-2-(trifluoromethyl)-1H-benzimidazole-5-carboxylic acid;1-Isopropyl-2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylic acid;1H-Benzimidazole-5-carboxylic acid, 1-(1-methylethyl)-2-(trifluoromethyl)-;1-isopropyl-2-(trifluoromethyl)-1H-benzimidazole-5-carboxylic acid, AldrichCPR

Chemical Property of 1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.22E-06mmHg at 25°C
• Melting Point: 174-178 °C
• Refractive Index: 1.553
• Boiling Point: 372.8 °C at 760 mmHg
• Flash Point: 179.3 °C
• PSA: 55.12000
• Density: 1.42 g/cm³
• LogP: 3.33420
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 272.07726208
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

98%Min ^*data from raw suppliers

1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22-22
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=C1C(F)(F)F