1-fluoroheptane

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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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Heptan-1-ol
  • bromoheptane
  • 1-heptyl-2,4,6-triphenyl-pyridinium, fluoride
  • P-TOLUENESULFONIC ACID N-HEPTYL ESTER
  • 1-Iodoheptane
  • 1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
  • heptylsulfanylbenzene
  • 1-Chloroheptane
  • 1-Heptylamine

DownStream

  • 1-Iodoheptane
  • 2-Iodoheptane
  • 1-Chloroheptane
  • 2-Chloroheptane
  • bromoheptane
  • 2-Bromoheptane

Articles

Localized optimized orbitals, coupled cluster theory, and chiroptical response properties.

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...


More Articles

Related Compounds

  • 2-bromo-1-fluoroheptane
  • 1,1,3-tribromo-1-fluoroheptane
  • 1,1,7-trichloro-1-fluoroheptane
  • 1-Bromo-2-fluoroheptane
  • 1-bromo-7-fluoroheptane
  • 1-methyl-3-[3-[[methyl-[(4-nitrophenyl)methyl]carbamoyl]amino]phenyl]-1-[(4-nitrophenyl)methyl]urea
  • 2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)thiazole-4-carboxylic acid
  • 4-Chloro-2-(1-chloroethyl)-1-methoxybenzene
  • 2-(2-Acetamidoethyl)-1,3-thiazole-4-carboxylic acid
  • 4-(2,6-Dimethoxyphenyl)butan-2-one
  • 2-(2,2,2-Trifluoroethyl)-1,3-thiazole
  • 3-(5-Bromopyridin-3-yl)-1,1,1-trifluoropropan-2-ol
  • 5-((tert-Butoxycarbonyl)amino)-2-(2-chlorophenyl)thiazole-4-carboxylic acid
  • 3-(5-Bromopyridin-2-yl)-1,1,1-trifluoropropan-2-ol
  • 2-(1-{[(Prop-2-en-1-yloxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylic acid
  • Ethyl 1-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylate
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