추천 제품
Quality Level
분석
98%
양식
liquid
refractive index
n20/D 1.386 (lit.)
bp
119.2 °C/750 mmHg (lit.)
density
0.806 g/mL at 25 °C (lit.)
작용기
alkyl halide
fluoro
SMILES string
CCCCCCCF
InChI
1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChI key
BITLXSQYFZTQGC-UHFFFAOYSA-N
일반 설명
Specific rotations of chiral conformers of 1-fluoroheptane were computed using an approach in which localization is enforced throughout the orbital optimization and subsequent linear response computation.
신호어
Danger
유해 및 위험 성명서
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
표적 기관
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point (°F)
57.2 °F - closed cup
Flash Point (°C)
14 °C - closed cup
개인 보호 장비
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Harley R McAlexander et al.
Physical chemistry chemical physics : PCCP, 14(21), 7830-7836 (2012-05-01)
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 rotation. The specific rotations of several test cases-(P)-[4]triangulane, (S)-1-phenylethanol, and chiral conformers of
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 250082-5G | |
| 250082-10G | |
| 250082-1G | 4061837071911 |
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