CAS 945978-20-1 2,2,2-Trifluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-ol (HCID 61644993)

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Basic information

CAS: 945978-20-1
Standard SMILES: OC(c1ccccc1C(F)(F)F)C(F)(F)F
InChIKey: BZYSZNZQTSWKFY-UHFFFAOYSA-N
Molecular formula: C9H6F6O
Average molar mass: 244.13 g/mol

Names & identifiers

Preferred name: 2,2,2-Trifluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-ol
IUPAC: 2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethanol
English name: Benzenemethanol, α,2-bis(trifluoromethyl)-
Molecular formula: C9H6F6O
Molecular weight: 244.13

Names & synonyms

2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-ol945978-20-12,2,2-trifluoro-1-(2-(trifluoromethyl)phenyl)ethan-1-olRefChem:440429108-939-9alpha,2-Bis(trifluoromethyl)benzyl Alcohol2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethanolMFCD160679262,2,2-trifluoro-1-(2-(trifluoromethyl)phenyl)ethanolSCHEMBL308175VMB97820AKOS010909677

Show more names

Benzenemethanol, α,2-bis(trifluoromethyl)-

SY196482DB-179958Benzenemethanol, |A,2-bis(trifluoromethyl)-CS-0263912EN300-90722Benzenemethanol, alpha,2-bis(trifluoromethyl)-F83388F675094

Database identifiers

CAS: 945978-20-1
PubChem CID: 61644993
EC Number: 108-939-9

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Physicochemical properties

Boiling point: 217.1 · 217.1±40.0 °C(Predicted)
Density: 1.432 · 1.432±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 11.56 · 11.56±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.