alpha-(Trifluoromethyl)naphthalene-2-methanol - CAS 1645-50-7
Catalog: |
BB012119 |
Product Name: |
alpha-(Trifluoromethyl)naphthalene-2-methanol |
CAS: |
1645-50-7 |
Synonyms: |
2,2,2-trifluoro-1-(2-naphthalenyl)ethanol; 2,2,2-trifluoro-1-naphthalen-2-ylethanol |
IUPAC Name: | 2,2,2-trifluoro-1-naphthalen-2-ylethanol |
Description: | alpha-(Trifluoromethyl)naphthalene-2-methanol (CAS# 1645-50-7) is a useful research chemical. |
Molecular Weight: | 226.19 |
Molecular Formula: | C12H9F3O |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)C(C(F)(F)F)O |
InChI: | InChI=1S/C12H9F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,16H |
InChI Key: | MLTCXWGPOGVAPM-UHFFFAOYSA-N |
LogP: | 3.43550 |
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 |
JP-2014091691-A | Process for producing trifluoromethyl group-containing compound | 20121102 |
JP-5991899-B2 | Process for producing trifluoromethyl group-containing compound | 20121102 |
US-2014039182-A1 | Compositions and processes of preparing and using the same | 20110322 |
US-9359277-B2 | Compositions and processes of preparing and using the same | 20110322 |
JP-2012184185-A | Novel perfluoroalkylating agent and method for producing perfluoroalkyl group-containing compound using the same | 20110304 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.06054939 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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