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品質等級
化驗
98%
形狀
liquid
折射率
n20/D 1.386 (lit.)
bp
119.2 °C/750 mmHg (lit.)
密度
0.806 g/mL at 25 °C (lit.)
官能基
alkyl halide
fluoro
SMILES 字串
CCCCCCCF
InChI
1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChI 密鑰
BITLXSQYFZTQGC-UHFFFAOYSA-N
一般說明
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.
訊號詞
Danger
危險分類
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
3 - Flammable liquids
水污染物質分類（WGK）
WGK 3
閃點（°F）
57.2 °F - closed cup
閃點（°C）
14 °C - closed cup
個人防護裝備
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
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