3,4,5-Trifluorobenzyl bromide - CAS 220141-72-0
Catalog: |
BB017275 |
Product Name: |
3,4,5-Trifluorobenzyl bromide |
CAS: |
220141-72-0 |
Synonyms: |
5-(bromomethyl)-1,2,3-trifluorobenzene |
IUPAC Name: | 5-(bromomethyl)-1,2,3-trifluorobenzene |
Description: | 3,4,5-Trifluorobenzyl bromide (CAS# 220141-72-0) is a useful research chemical. |
Molecular Weight: | 225.01 |
Molecular Formula: | C7H4BrF3 |
Canonical SMILES: | C1=C(C=C(C(=C1F)F)F)CBr |
InChI: | InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2 |
InChI Key: | MPEKZIYOLQCWLL-UHFFFAOYSA-N |
Boiling Point: | 188.4 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.689 g/cm3 |
MDL: | MFCD00083528 |
LogP: | 2.99880 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110642918-A | Diosgenin derivative and preparation method and application thereof | 20191012 |
CN-110642918-B | Diosgenin derivative and preparation method and application thereof | 20191012 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2020113077-A1 | Compositions and methods for modular control of bioorthogonal ligation | 20181129 |
WO-2020113077-A9 | Compositions and methods for modular control of bioorthogonal ligation | 20181129 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.94485 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.94485 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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