1-Hexanol,4,4,5,5,6,6,6-heptafluoro-2-iodo-, 1-acetate

Modify Date: 2025-09-23 08:52:44

1-Hexanol,4,4,5,5,6,6,6-heptafluoro-2-iodo-, 1-acetate Structure
1-Hexanol,4,4,5,5,6,6,6-heptafluoro-2-iodo-, 1-acetate structure
Common Name 1-Hexanol,4,4,5,5,6,6,6-heptafluoro-2-iodo-, 1-acetate
CAS Number 3108-05-2 Molecular Weight 396.04100
Density 1.787g/cm3 Boiling Point 218.2ºC at 760mmHg
Molecular Formula C8H8F7IO2 Melting Point N/A
MSDS N/A Flash Point 85.8ºC

 Names

Name (4,4,5,5,6,6,6-heptafluoro-2-iodohexyl) acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.787g/cm3
Boiling Point 218.2ºC at 760mmHg
Molecular Formula C8H8F7IO2
Molecular Weight 396.04100
Flash Point 85.8ºC
Exact Mass 395.94600
PSA 26.30000
LogP 3.57610
Index of Refraction 1.409
InChIKey TYWLMXXVTNXETF-UHFFFAOYSA-N
SMILES CC(=O)OCC(I)CC(F)(F)C(F)(F)C(F)(F)F

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP0900000
CHEMICAL NAME :
1-Hexanol, 4,4,5,5,6,6,6-heptafluoro-2-iodo-, acetate
CAS REGISTRY NUMBER :
3108-05-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-F7-I-O2
MOLECULAR WEIGHT :
396.06
WISWESSER LINE NOTATION :
FXFFXFFXFF1YI1OV1

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 :
56 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#06172

 Safety Information

HS Code 2915390090

 Synthetic Route

~74%

1-Hexanol,4,4,5,5,6,6,6-heptafluoro-2-iodo-, 1-acetate Structure

1-Hexanol,4,4,5...

CAS#:3108-05-2

Literature: Larsson, Ulf; Carlson, Rolf; Leroy, Jacques Acta Chemica Scandinavica, 1993 , vol. 47, # 4 p. 380 - 390

 Customs

HS Code 2915390090
Summary 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

 Synonyms

4,4,5,5,6,6,6-Heptafluor-2-iod-hexan-(1)-ol-acetat
4,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate
4,4,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate
1-HEXANOL,4,4,5,5,6,6,6-HEPTAFLUORO-2-IODO-,ACETATE
1-Acetoxy-4.4.5.5.6.6.6-heptafluor-2-iod-hexan
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