3-(Difluoromethyl)benzyl Bromide - CAS 1263178-51-3
Catalog: |
BB006562 |
Product Name: |
3-(Difluoromethyl)benzyl Bromide |
CAS: |
1263178-51-3 |
Synonyms: |
1-(bromomethyl)-3-(difluoromethyl)benzene; 1-(bromomethyl)-3-(difluoromethyl)benzene |
IUPAC Name: | 1-(bromomethyl)-3-(difluoromethyl)benzene |
Description: | 3-(Difluoromethyl)benzyl Bromide (CAS# 1263178-51-3) is a useful research chemical. |
Molecular Weight: | 221.04 |
Molecular Formula: | C8H7BrF2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)F)CBr |
InChI: | InChI=1S/C8H7BrF2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,8H,5H2 |
InChI Key: | ZLEPJRZWCZMUGA-UHFFFAOYSA-N |
LogP: | 3.51910 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
US-2020115357-A1 | Liver x receptors (lxr) modulators | 20170410 |
CA-3027425-A1 | Benzotriazole-derived .alpha. and .beta.-unsaturated amide compound used as tgf-.beta.r1 inhibitor | 20160613 |
CN-109415341-A | α derived from benzotriazole as TGF-β R1 inhibitor, β unsaturated acyl amine compound | 20160613 |
EP-3470409-A1 | Benzotriazole-derived and unsaturated amide compound used as tgf- r1 inhibitor | 20160613 |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.96992 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.96992 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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