1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Modify Date: 2025-11-24 12:52:33

1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)- structure	Common Name	1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
	CAS Number	34848-23-2	Molecular Weight	356.18400
	Density	1.522g/cm3	Boiling Point	311.9ºC at 760 mmHg
	Molecular Formula	C₁₂H₉F₉O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	142.4ºC

Name	4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol

Density	1.522g/cm3
Boiling Point	311.9ºC at 760 mmHg
Molecular Formula	C₁₂H₉F₉O₂
Molecular Weight	356.18400
Flash Point	142.4ºC
Exact Mass	356.04600
PSA	40.46000
LogP	3.98460
Index of Refraction	1.415
InChIKey	HQERBWZZPCIKBQ-UHFFFAOYSA-N
SMILES	OC(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(C(F)(F)F)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EK2580000

CHEMICAL NAME :: 1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,al pha-trifluoro-m-tolyl )-

CAS REGISTRY NUMBER :: 34848-23-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H9-F9-O2

MOLECULAR WEIGHT :: 356.21

WISWESSER LINE NOTATION :: FXFFXQXFFF1YQR CXFFF

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#09031

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