CAS 661-11-0|1-fluoroheptane

Introduction：Basic information about CAS 661-11-0|1-fluoroheptane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Articles1
6. Synonyms

Common Name	1-fluoroheptane
CAS Number	661-11-0	Molecular Weight	118.19200
Density	0.806 g/mL at 25 °C(lit.)	Boiling Point	119.2 °C750 mm Hg(lit.)
Molecular Formula	C₇H₁₅F	Melting Point	-73°C
MSDS	ChineseUSA	Flash Point	57 °F
Symbol	GHS02, GHS07	Signal Word	Danger

Names

Name	1-fluoroheptane
Synonym	More Synonyms

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.)
InChIKey	BITLXSQYFZTQGC-UHFFFAOYSA-N
SMILES	CCCCCCCF

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

Articles1

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...

Synonyms

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

Recommended......