1-(4-Fluorophenyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol

Modify Date: 2025-09-18 23:24:47

1-(4-Fluorophenyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol Structure
1-(4-Fluorophenyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol structure
Common Name 1-(4-Fluorophenyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
CAS Number 34848-32-3 Molecular Weight 320.20300
Density 1.445g/cm3 Boiling Point 326.7ºC at 760 mmHg
Molecular Formula C12H11F7O2 Melting Point N/A
MSDS N/A Flash Point 151.4ºC

 Names

Name 4,4,4-trifluoro-1-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)butane-1,3-diol

 Chemical & Physical Properties

Density 1.445g/cm3
Boiling Point 326.7ºC at 760 mmHg
Molecular Formula C12H11F7O2
Molecular Weight 320.20300
Flash Point 151.4ºC
Exact Mass 320.06500
PSA 40.46000
LogP 3.35090
Index of Refraction 1.438
InChIKey DDDUFZBVGKGMGK-UHFFFAOYSA-N
SMILES CC(C(O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK2000000
CHEMICAL NAME :
1,3-Butanediol, 1-(p-fluorophenyl)-2-methyl-4,4,4-trifluoro-3-(triflu oromethyl)-
CAS REGISTRY NUMBER :
34848-32-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H11-F7-O2
MOLECULAR WEIGHT :
320.23
WISWESSER LINE NOTATION :
FXFFXQXFFFY1&YQR DF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08960
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