1-fluoroheptane
Names
[ CAS No. ]:
661-11-0
[ Name ]:
1-fluoroheptane
[Synonym ]:
1-fluoro-heptane
Heptylfluorid
MFCD00013581
1-Fluor-heptan
prim.-n-Heptylfluorid
Heptane,1-fluoro
n-Heptylfluorid
EINECS 211-545-0
fluoroheptane
1-fluoranylheptane
Heptyl fluoride
Chemical & Physical Properties
[ Density]:
0.806 g/mL at 25 °C(lit.)
[ Boiling Point ]:
119.2 °C750 mm Hg(lit.)
[ Melting Point ]:
-73°C
[ Molecular Formula ]:
C7H15F
[ Molecular Weight ]:
118.19200
[ Flash Point ]:
57 °F
[ Exact Mass ]:
118.11600
[ LogP ]:
2.92630
[ Index of Refraction ]:
n20/D 1.386(lit.)
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MJ0700000
- CHEMICAL NAME :
- Heptane, 1-fluoro-
- CAS REGISTRY NUMBER :
- 661-11-0
- BEILSTEIN REFERENCE NO. :
- 1697158
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H15-F
- MOLECULAR WEIGHT :
- 118.22
- WISWESSER LINE NOTATION :
- F7
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 35 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 79,2311,1957
Safety Information
[ Symbol ]:
GHS02, GHS07
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H225-H315-H319-H335
[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
F,Xi,T
[ Risk Phrases ]:
11-36/37/38
[ Safety Phrases ]:
S16-S26-S36
[ RIDADR ]:
UN 1993 3/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
MJ0700000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Phys. Chem. Chem. Phys. 14(21) , 7830-6, (2012)
The impact of orbital localization on the efficiency and accuracy of the optimized-orbital coupled cluster model is examined for the prediction of chiroptical properties, in particular optical rotatio...