1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol

Modify Date: 2025-09-02 22:02:49

1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol structure	Common Name	1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
	CAS Number	34844-51-4	Molecular Weight	288.18600
	Density	1.438g/cm3	Boiling Point	316.1ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₀F₆O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	145ºC

Name	4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Synonym	More Synonyms

Density	1.438g/cm3
Boiling Point	316.1ºC at 760 mmHg
Molecular Formula	C₁₁H₁₀F₆O₂
Molecular Weight	288.18600
Flash Point	145ºC
Exact Mass	288.05800
PSA	40.46000
LogP	2.96580
Index of Refraction	1.448
InChIKey	IOXCYVTZRDCFPD-UHFFFAOYSA-N
SMILES	OC(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EK2470000

CHEMICAL NAME :: 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-

CAS REGISTRY NUMBER :: 34844-51-4

LAST UPDATED :: 198609

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H10-F6-O2

MOLECULAR WEIGHT :: 288.21

WISWESSER LINE NOTATION :: QYR&1XQXFFFXFFF

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 :: 24 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#09071

4,4,4-TRIFLUORO...

CAS#:731-00-0

~77%

1-Phenyl-4,4,4-...

CAS#:34844-51-4

Literature: Komata, Takeo; Matsunaga, Kei; Hirotsu, Yoshiki; Akiba, Shinya; Ogura, Katsuyuki Journal of Fluorine Chemistry, 2007 , vol. 128, # 8 p. 902 - 909

Benzaldehyde

CAS#:100-52-7

2-(BROMOMETHYL)...

CAS#:503169-76-4

~73%

1-Phenyl-4,4,4-...

CAS#:34844-51-4

Literature: Grushin, Vladimir V.; Marshall, William J.; Halliday, Gary A.; Davidson, Fredric; Petrov, Viacheslav A. Journal of Fluorine Chemistry, 2002 , vol. 117, # 2 p. 121 - 129

Precursor 3
CAS#:731-00-0 4,4,4-TRIFLUORO... CAS#:100-52-7 Benzaldehyde CAS#:503169-76-4 2-(BROMOMETHYL)...
DownStream 0

1-Phenyl-4,4,4-trifluor-3-trifluormethyl-1,3-butandiol

4,4,4-trifluoro-1-cyclohexyl-1,3-butanedione

1-Cyclohexyl-4,4,4-trifluoro-butane-1,3-dione

1,3-Butanedione,1-cyclohexyl-4,4,4-trifluoro

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Product Name: 1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
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Purity: 98.0%
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1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.