2-(Trifluoromethyl)benzyl bromide - CAS 395-44-8
Catalog: |
BB024024 |
Product Name: |
2-(Trifluoromethyl)benzyl bromide |
CAS: |
395-44-8 |
Synonyms: |
1-(bromomethyl)-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-(bromomethyl)-2-(trifluoromethyl)benzene |
Description: | 2-(Trifluoromethyl)benzyl bromide (CAS# 395-44-8) is a useful research chemical. |
Molecular Weight: | 239.03 |
Molecular Formula: | C8H6BrF3 |
Canonical SMILES: | C1=CC=C(C(=C1)CBr)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2 |
InChI Key: | TXVVVEUSVBLDED-UHFFFAOYSA-N |
Boiling Point: | 72 °C (7.5 mmHg) |
Melting Point: | 34-35 °C |
Purity: | 95 % |
Density: | 1.571 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00013558 |
LogP: | 3.60030 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22412493 | 20120301 | 1-(Pyridin-2-yl)-2-[2-(trifluoro-meth-yl)benz-yl]-3-[2-(trifluoro-meth-yl)phen-yl]propan-1-one | Acta crystallographica. Section E, Structure reports online |
19105723 | 20090101 | Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound | Journal of combinatorial chemistry |
19105725 | 20090101 | Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction | Journal of combinatorial chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9605 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9605 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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