4-(Difluorochloromethoxy)benzoic acid

Base Information

• Chemical Name: 4-(Difluorochloromethoxy)benzoic acid
• CAS No.: 147992-34-5
• Molecular Formula: C8H5ClF2O3
• Molecular Weight: 222.57
• Hs Code.: 2918990090
• European Community (EC) Number: 845-140-0
• DSSTox Substance ID: DTXSID80366292
• Wikidata: Q82151430
• Mol file: 147992-34-5.mol

Synonyms:147992-34-5;4-(Difluorochloromethoxy)benzoic acid;4-(chlorodifluoromethoxy)benzoic acid;4-[chloro(difluoro)methoxy]benzoic acid;4-(difluorochloromethoxy)benzoicacid;Benzoic acid,4-(chlorodifluoromethoxy)-;DTXSID80366292;MFCD00718834;AKOS003620574;Benzoic acid, 4-(chlorodifluoromethoxy)-;FT-0643416;EN300-89198;Z959151600

Chemical Property of 4-(Difluorochloromethoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 0.0022mmHg at 25°C
• Melting Point: 143 °C
• Refractive Index: 1.518
• Boiling Point: 277.3 °C at 760 mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 121.5 °C
• PSA: 46.53000
• Density: 1.5 g/cm³
• LogP: 2.55270
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 221.9895280
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

4-(CHLORODIFLUOROMETHOXY)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OC(F)(F)Cl