1-(Chloromethyl)-3-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 1-(Chloromethyl)-3-(trifluoromethoxy)benzene
• CAS No.: 89807-43-2
• Molecular Formula: C8H6 Cl F3 O
• Molecular Weight: 210.58
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80535123
• Wikidata: Q82409237
• Mol file: 89807-43-2.mol

Synonyms:89807-43-2;3-(Trifluoromethoxy)benzyl chloride;1-(chloromethyl)-3-(trifluoromethoxy)benzene;3-(Trifluoromethoxy)benzylchloride;SCHEMBL1434302;DTXSID80535123;MFCD08458087;AKOS015890423;AM62173;1-chloromethyl-3-trifluoromethoxy-benzene;PS-10646;CS-0084845;EN300-185774;G29114

Chemical Property of 1-(Chloromethyl)-3-(trifluoromethoxy)benzene

Chemical Property:

• Boiling Point: 189.4±35.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.336±0.06 g/cm3(Predicted)
• LogP: 3.32400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.0059270
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

3-(Trifluoromethoxy)benzylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CCl
• Uses: 3-(Trifluoromethoxy)benzyl Chloride is used as a reactant in the preparation of indole derivatives as sphingosine-1-phosphate receptor modulators.