1025718-84-6

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1025718-84-6 Structure

Identification	Back Directory
[Name] 3-Bromo-5-trifluoromethylphenol
[CAS] 1025718-84-6
[Synonyms] 3-Bromo-5-trifluoromethylphenol 3-Bromo-5-hydroxybenzotrifluoride Phenol, 3-bromo-5-(trifluoromethyl)- 3-Bromo-5-(trifluoromethyl)phenol, 5-Bromo-alpha,alpha,alpha-trifluoro-m-cresol
[Molecular Formula] C7H4BrF3O
[MDL Number] MFCD11041083
[MOL File] 1025718-84-6.mol
[Molecular Weight] 241.01

Chemical Properties	Back Directory
[Boiling point ] 224℃
[density ] 1.752
[Fp ] 89℃
[storage temp. ] under inert gas (nitrogen or Argon) at 2-8°C
[form ] liquid
[pka] 8.00±0.10(Predicted)
[color ] Clear, almost colourless (hint of pink)
[InChI] InChI=1S/C7H4BrF3O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
[InChIKey] BWJBVICFLRSNNM-UHFFFAOYSA-N
[SMILES] C1(O)=CC(C(F)(F)F)=CC(Br)=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P271-P261-P280
[HS Code ] 2908990000
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Chemical Properties] light brown liquid

Spectrum Detail	Back Directory
[Spectrum Detail] 3-Bromo-5-trifluoromethylphenol(1025718-84-6)¹HNMR

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