1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triol

Modify Date: 2025-09-24 22:10:05

1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triol Structure
1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triol structure
Common Name 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triol
CAS Number 68325-20-2 Molecular Weight 392.13900
Density 1.664g/cm3 Boiling Point 335.7ºC at 760 mmHg
Molecular Formula C9H8F12O3 Melting Point N/A
MSDS N/A Flash Point 156.8ºC

 Names

Name 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,4,6-triol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.664g/cm3
Boiling Point 335.7ºC at 760 mmHg
Molecular Formula C9H8F12O3
Molecular Weight 392.13900
Flash Point 156.8ºC
Exact Mass 392.02800
PSA 60.69000
LogP 2.83890
Index of Refraction 1.345
InChIKey XZAWDIMRXPIAIM-UHFFFAOYSA-N
SMILES OC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ1530000
CHEMICAL NAME :
2,4,6-Heptanetriol, 2,6-bis(trifluoromethyl)-1,1,1,7,7,7-hexafluoro-
CAS REGISTRY NUMBER :
68325-20-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H8-F12-O3
MOLECULAR WEIGHT :
392.17
WISWESSER LINE NOTATION :
FXFFXQXFFF1YQ1XQXFFFXFFF

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 :
13 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#08855

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

2,4,6-HEPTANETRIOL,2,6-BIS(TRIFLUOROMETHYL)-1,1,1,7,7,7-HEXAFLUORO
1,1,1,7,7,7-hexafluoro-2,6-bis-trifluoromethyl-heptane-2,4,6-triol
2,6-Bis(trifluoromethyl)-1,1,1,7,7,7-hexafluoro-2,4,6-heptanetriol
1,1,1,7,7,7-Hexafluor-2,6-bis(trifluormethyl)heptan-2,4,6-triol
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