1-Bromo-3-(trifluoromethoxy)benzene - CAS 2252-44-0
Catalog: |
BB017648 |
Product Name: |
1-Bromo-3-(trifluoromethoxy)benzene |
CAS: |
2252-44-0 |
Synonyms: |
1-bromo-3-(trifluoromethoxy)benzene |
IUPAC Name: | 1-bromo-3-(trifluoromethoxy)benzene |
Description: | 1-Bromo-3-(trifluoromethoxy)benzene (CAS# 2252-44-0) is a useful research chemical. |
Molecular Weight: | 241.01 |
Molecular Formula: | C7H4BrF3O |
Canonical SMILES: | C1=CC(=CC(=C1)Br)OC(F)(F)F |
InChI: | InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H |
InChI Key: | WVUDHWBCPSXAFN-UHFFFAOYSA-N |
Boiling Point: | 156-158 ℃ |
Purity: | 95 % |
Density: | 1.63 g/cm3 |
Appearance: | Light yellow liquid |
MDL: | MFCD00040943 |
LogP: | 3.34770 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22685432 | 20120101 | Triarylmethanes, a new class of cx50 inhibitors | Frontiers in pharmacology |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.93976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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