alpha,4-Bis(trifluoromethyl)benzyl Alcohol - CAS 150698-81-0
Catalog: |
BB010563 |
Product Name: |
alpha,4-Bis(trifluoromethyl)benzyl Alcohol |
CAS: |
150698-81-0 |
Synonyms: |
2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol; 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol |
Description: | alpha,4-Bis(trifluoromethyl)benzyl Alcohol (CAS# 150698-81-0) is a useful research chemical. |
Molecular Weight: | 244.13 |
Molecular Formula: | C9H6F6O |
Canonical SMILES: | C1=CC(=CC=C1C(C(F)(F)F)O)C(F)(F)F |
InChI: | InChI=1S/C9H6F6O/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7,16H |
InChI Key: | HGNBZXDFLLAPLI-UHFFFAOYSA-N |
LogP: | 3.30110 |
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 |
Publication Number | Title | Priority Date |
CN-113072546-A | Five-membered heteroaromatic derivative and preparation method and application thereof | 20200106 |
JP-2018002698-A | Method for producing alcohol containing trifluoromethyl group | 20160628 |
JP-6763747-B2 | Method for Producing Trifluoromethyl Group-Containing Alcohols | 20160628 |
AU-2012247956-A1 | Fungicidal compositions | 20111214 |
AU-2012247956-B2 | Fungicidal compositions | 20111214 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.03228378 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.03228378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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