4-Bromo-alpha-(trifluoromethyl)benzyl Alcohol - CAS 76911-73-4
Catalog: |
BB035746 |
Product Name: |
4-Bromo-alpha-(trifluoromethyl)benzyl Alcohol |
CAS: |
76911-73-4 |
Synonyms: |
1-(4-bromophenyl)-2,2,2-trifluoroethanol; 1-(4-bromophenyl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(4-bromophenyl)-2,2,2-trifluoroethanol |
Description: | 4-Bromo-alpha-(trifluoromethyl)benzyl Alcohol (CAS# 76911-73-4) is a useful research chemical. |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | C1=CC(=CC=C1C(C(F)(F)F)O)Br |
InChI: | InChI=1S/C8H6BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H |
InChI Key: | PHWPRSZULISLMK-UHFFFAOYSA-N |
Boiling Point: | 78-80 °C (0.1 mmHg) |
LogP: | 3.04480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113462602-A | Corksaiella radicata ZJPH202011 and application thereof | 20210709 |
CN-113462728-A | Method for preparing (R) -1- (4-bromophenyl) -2,2, 2-trifluoroethanol by using Verticillium terrestris | 20210709 |
JP-2018002698-A | Method for producing alcohol containing trifluoromethyl group | 20160628 |
JP-6763747-B2 | Method for Producing Trifluoromethyl Group-Containing Alcohols | 20160628 |
JP-2017197534-A | KCNQ2-5 channel-related disease prevention and / or treatment agent | 20160422 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95541 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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