4-(Difluoromethyl)-2-methyl-1,3-thiazole-5-carboxylic acid

Base Information

• Chemical Name: 4-(Difluoromethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
• CAS No.: 891487-47-1
• Molecular Formula: C₆H₅F₂NO₂S
• Molecular Weight: 193.174
• DSSTox Substance ID: DTXSID70587393
• Wikidata: Q82479801
• Mol file: 891487-47-1.mol

Synonyms:891487-47-1;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxylic acid;2-METHYL-4-(DIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID;4-(Difluoromethyl)-2-methylthiazole-5-carboxylic acid;4-Difluoromethyl-2-methylthiazole-5-carboxylic Acid;SCHEMBL2062185;DTXSID70587393;MFCD12827725;AKOS025401962;AC-27629;DB-078307;CS-0207915;EN300-6509564;A934276;F2147-8281

Chemical Property of 4-(Difluoromethyl)-2-methyl-1,3-thiazole-5-carboxylic acid

Chemical Property:

• Boiling Point: 313.6±42.0 °C(Predicted)
• PKA: 2.16±0.36(Predicted)
• PSA: 78.43000
• Density: 1.498±0.06 g/cm3(Predicted)
• LogP: 2.08730
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 193.00090590
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99%, ^*data from raw suppliers

2-METHYL-4-(DIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(S1)C(=O)O)C(F)F

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