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Merck

250082

Sigma-Aldrich

1-氟庚烷

98%

别名:

1-氟代庚烷

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About This Item

线性分子式:
CH3(CH2)6F
CAS号:
分子量:
118.19
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

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.)

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.

象形圖

FlameExclamation mark

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


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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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