1,3-Bis(trifluoromethyl)-5-bromobenzene - CAS 328-70-1
Catalog: |
BB021449 |
Product Name: |
1,3-Bis(trifluoromethyl)-5-bromobenzene |
CAS: |
328-70-1 |
Synonyms: |
1-bromo-3,5-bis(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-3,5-bis(trifluoromethyl)benzene |
Description: | 1,3-Bis(trifluoromethyl)-5-bromobenzene (CAS# 328-70-1) is a useful research chemical compound. |
Molecular Weight: | 293.00 |
Molecular Formula: | C8H3BrF6 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F |
InChI: | InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H |
InChI Key: | CSVCVIHEBDJTCJ-UHFFFAOYSA-N |
Boiling Point: | 154 ℃ |
Purity: | 97.0 % |
Density: | 1.71 g/cm3 |
MDL: | MFCD00000381 |
LogP: | 4.48670 |
GHS Hazard Statement: | H315 (94.44%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (94.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214045-A | Preparation process of high-purity 3, 5-bis (trifluoromethyl) benzyl alcohol | 20210427 |
CN-113087593-A | Trifluoromethyl benzene functionalization-based spirofluorene organic laser material, and microcrystal preparation and application | 20210408 |
CN-113121517-A | Triazole derivative and preparation method and application thereof | 20210224 |
CN-112500517-A | Oil-soluble super-heavy oil viscosity reducer and preparation method and application thereof | 20201201 |
CN-111777530-A | Method for catalyzing asymmetric Henry reaction of trifluoromethyl ketone | 20200722 |
PMID | Publication Date | Title | Journal |
16496986 | 20060303 | Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives | The Journal of organic chemistry |
15698775 | 20050301 | Synthesis and biodistribution of [(11)C]R116301, a promising PET ligand for central NK(1) receptors | Bioorganic & medicinal chemistry |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.93223 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.93223 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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