2-(Trifluoromethoxy)benzoic acid

Base Information

• Chemical Name: 2-(Trifluoromethoxy)benzoic acid
• CAS No.: 150436-84-3
• Molecular Formula: C8H5 F3 O3 . 1/2 Ba
• Molecular Weight: 206.12
• European Community (EC) Number: 630-288-9,670-401-9
• DSSTox Substance ID: DTXSID90941579
• Nikkaji Number: J1.490.425E
• Wikidata: Q106703385
• Mol file: 150436-84-3.mol

Synonyms:2-(Trifluoromethoxy)benzoic acid;1979-29-9;150436-84-3;2-Trifluoromethoxy-benzoic acid;MFCD00052325;2-(trifluoromethoxy)benzoate;o-trifluoromethoxybenzoic acid;alpha,alpha,alpha-Trifluoro-o-anisic Acid;K2P;O-(TRIFLUOROMETHOXY)BENZOIC ACID;trifluoromethyl salicylic acid;2-trifluoromethoxybenzoic acid;SCHEMBL219675;2-trifluoromethoxy benzoic acid;2-(triluoromethoxy)benzoic acid;DTXSID90941579;2-(trifluoromethoxy)-benzoic acid;CHEBI:195131;Benzoic acid, 2-(trifluoromethoxy)-;STL195579;AKOS005254634;AC-4013;CS-W015345;DS-1079;PS-8083;2-(Trifluoromethoxy)benzoic acid, 96%;SY017703;AM20061237;FT-0608938;FT-0654555;T2382;EN300-86538;A20086;BENZO[1,3]DIOXOL-5-YL-ACETICACIDMETHYLESTER;W-201735;F0001-0705

Chemical Property of 2-(Trifluoromethoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Melting Point: 78-80℃
• Boiling Point: 231.6°Cat760mmHg
• Flash Point: 93.9°C
• PSA: 46.53000
• Density: 1.447g/cm³
• LogP: 2.28340
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 206.01907850
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R34:
• Safety Statements: S26:; S36/37/39:

MSDS Files:

SDS file from LookChem

Useful:

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