2-Chloro-3,6-difluorobenzoic acid

Base Information

• Chemical Name: 2-Chloro-3,6-difluorobenzoic acid
• CAS No.: 287172-74-1
• Molecular Formula: C₇H₃ClF₂O₂
• Molecular Weight: 192.549
• Hs Code.: 2916399090
• European Community (EC) Number: 630-259-0
• DSSTox Substance ID: DTXSID50378529
• Wikidata: Q82168017
• Mol file: 287172-74-1.mol

Synonyms:2-Chloro-3,6-difluorobenzoic acid;287172-74-1;Benzoic acid, 2-chloro-3,6-difluoro-;MFCD01631441;2-chloro-3,6-difluoro-benzoic Acid;SCHEMBL2334297;AMY6368;DTXSID50378529;2-Chloro-3,6-difluorobenzoicacid;COWJYTLVSFKOPM-UHFFFAOYSA-N;BBL101402;STL555198;AKOS005258521;AC-26016;AS-35866;SY061877;CS-0099345;FT-0611717;A20204;EN300-269690;Z1201621189

Chemical Property of 2-Chloro-3,6-difluorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00427mmHg at 25°C
• Melting Point: 126-128 °C
• Refractive Index: 1.534
• Boiling Point: 266.6 °C at 760 mmHg
• PKA: 1.63±0.25(Predicted)
• Flash Point: 115 °C
• PSA: 37.30000
• Density: 1.573 g/cm³
• LogP: 2.31640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.9789634
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

97%+ ^*data from raw suppliers

2-Chloro-3,6-difluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)C(=O)O)Cl)F