Name: Name:4-Chlorobenzotrifluoride
Brand: AABLOCKS
SKU: AA00IJXI
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00IJXI

Chemical Name: 4-Chlorobenzotrifluoride

CAS Number: 98-56-6

Molecular Formula: C7H4ClF3

Molecular Weight: 180.5549

MDL Number: MFCD00000627

SMILES: FC(c1ccc(cc1)Cl)(F)F

NSC Number: 10309

UN Number: 2234

Properties

Complexity: 124

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.8

Literature fold

Title: The role of lymphocyte proliferation tests in assessing occupational sensitization and disease.

Journal: Current opinion in allergy and clinical immunology20120401

Title: Congested ferrocenyl polyphosphanes bearing electron-donating or electron-withdrawing phosphanyl groups: assessment of metallocene conformation from NMR spin couplings and use in palladium-catalyzed chloroarenes activation.

Journal: Inorganic chemistry20111121

Title: 4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20110701

Title: 1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

Journal: Acta crystallographica. Section E, Structure reports online20110301

Title: Allergic Potential and Immunotoxicity Induced by Topical Application of 1-Chloro-4-(Trifluoromethyl)Benzene (PCBTF) in a Murine Model.

Journal: Journal of allergy20110101

Title: Paint solvent to food additive: an environmental route of dehalogenation for 4-chlorobenzotrifluoride.

Journal: Environmental toxicology and chemistry20081101

Title: Novel 1,3-disubstituted 8-(1-benzyl-1H-pyrazol-4-yl) xanthines: high affinity and selective A2B adenosine receptor antagonists.

Journal: Journal of medicinal chemistry20060615

Title: Utilizing capillary gas chromatography mass spectrometry to determine 4-benzotrifluoride t-butyl ether as a reaction by-product in fluoxetine synthesized using potassium t-butoxide as base.

Journal: Journal of pharmaceutical and biomedical analysis20030205

Title: Anisotropy decay study on the host-guest interaction of distally dialkylated calix[4]arenes with 1-chloro-4-(trifluoromethyl)benzene.

Journal: Journal of biochemical and biophysical methods20020101

Title: Palladium catalyst systems for cross-coupling reactions of aryl chlorides and olefins.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20010702

98-56-6 | 4-Chlorobenzotrifluoride