2-Fluoro-6-(trifluoromethyl)benzyl bromide - CAS 239087-08-2
Catalog: |
BB018238 |
Product Name: |
2-Fluoro-6-(trifluoromethyl)benzyl bromide |
CAS: |
239087-08-2 |
Synonyms: |
2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene |
IUPAC Name: | 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene |
Description: | 2-Fluoro-6-(trifluoromethyl)benzyl bromide (CAS# 239087-08-2) is a useful research chemical. |
Molecular Weight: | 257.02 |
Molecular Formula: | C8H5BrF4 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)CBr)C(F)(F)F |
InChI: | InChI=1S/C8H5BrF4/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2 |
InChI Key: | RINUERVPFANASB-UHFFFAOYSA-N |
Boiling Point: | 185.7 °C at 760 mmHg |
Melting Point: | 38-42 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.64 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00082477 |
LogP: | 3.73940 |
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 |
US-2021078956-A1 | Process for preparing elagolix sodium and intermediates thereof | 20190918 |
WO-2021054896-A1 | Process for preparing elagolix sodium and intermediates thereof | 20190918 |
WO-2021048241-A1 | Radiolabeled compounds | 20190912 |
WO-2020035825-A1 | N'-(4-(benzylamino)-phenyl)-n-ethyl-n-methylformimidamide derivatives and related compounds for protecting agricultural crops against phytopathogenic microorganisms | 20180817 |
WO-2020035424-A1 | New heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.95108 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.95108 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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