3-(Trifluoromethyl)benzyl bromide - CAS 402-23-3
Catalog: |
BB024375 |
Product Name: |
3-(Trifluoromethyl)benzyl bromide |
CAS: |
402-23-3 |
Synonyms: |
1-(bromomethyl)-3-(trifluoromethyl)benzene |
IUPAC Name: | 1-(bromomethyl)-3-(trifluoromethyl)benzene |
Description: | Used in the preparation of 1-benzylazetidine-3-carboxylic acid derivatives as agonists and antagonists of the S1P5 receptor. |
Molecular Weight: | 239.03 |
Molecular Formula: | C8H6BrF3 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CBr |
InChI: | InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2 |
InChI Key: | MYYYZNVAUZVXBO-UHFFFAOYSA-N |
Boiling Point: | 69 °C (4 mmHg) |
Purity: | 95 % |
Density: | 1.565 g/cm3 |
Appearance: | Colorless to light yellow liqui |
MDL: | MFCD00000395 |
LogP: | 3.60030 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112473396-A | Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof | 20201127 |
CN-112608271-A | Amide derivatives and their use in the preparation of EP4 receptor antagonists | 20201126 |
EP-3901135-A1 | Sulfur extrusion from disulfides by carbenes | 20200422 |
CN-111646984-A | 1-tert-butyl-5-amino-4-pyrazole bis-1, 3, 4-oxadiazole thioether compound and application thereof | 20200420 |
EP-3892614-A1 | (1h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer | 20200407 |
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: | 3.7 |
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