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1-氟庚烷

1-氟庚烷名称

[ CAS 号 ]:
661-11-0

[ 中文名 ]:
1-氟庚烷

[ 英文名 ]:
1-fluoroheptane

[中文别名 ]:

1-氟代庚烷

[英文别名 ]:

1-fluoro-heptane
Heptylfluorid
MFCD00013581
1-Fluor-heptan
prim.-n-Heptylfluorid
Heptane,1-fluoro
n-Heptylfluorid
EINECS 211-545-0
fluoroheptane
1-fluoranylheptane

1-氟庚烷物理化学性质

[ 密度 ]:
0.806 g/mL at 25 °C(lit.)

[ 沸点 ]:
119.2 °C750 mm Hg(lit.)

[ 熔点 ]:
-73°C

[ 分子式 ]:
C₇H₁₅F

[ 分子量 ]:
118.19200

[ 闪点 ]:
57 °F

[ 精确质量 ]:
118.11600

[ LogP ]:
2.92630

[ 折射率 ]:
n20/D 1.386(lit.)

1-氟庚烷毒性和生态

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

1-氟庚烷安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H315-H319-H335

[ 警示性声明 ]:
P210-P261-P305 + P351 + P338

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
F,Xi,T

[ 风险声明 (欧洲) ]:
11-36/37/38

[ 安全声明 (欧洲) ]:
S16-S26-S36

[ 危险品运输编码 ]:
UN 1993 3/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
MJ0700000

1-氟庚烷合成路线

详细合成路线

1-氟庚烷上下游产品

1-氟庚烷上游产品

1-氟庚烷下游产品

1-氟庚烷文献

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...

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