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重要文件

32004

Sigma-Aldrich

庚烷分馏物

puriss. p.a., reag. Ph. Eur., ≥99% n-heptane basis (GC)

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About This Item

Beilstein:
1730763
EC號碼:
MDL號碼:
分類程式碼代碼:
12352001
PubChem物質ID:
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agency

reag. Ph. Eur.

等級

puriss. p.a.

化驗

≥99% n-heptane basis (GC)

技術

GC/GC: suitable

雜質

≤0.0005% free acid (as CH3COOH)
≤0.0005% non-volatile matter
≤0.005% S-compounds (as S)
≤0.01% water (Karl Fischer)

折射率

n20/D 1.3870-1.3880

溶解度

water: insoluble

正離子痕跡

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

適合性

passes test for reaction against H2SO4

SMILES 字串

CCCCCCC

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChI 密鑰

IMNFDUFMRHMDMM-UHFFFAOYSA-N

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一般說明

Heptane Fraction is a liquid. It contains n-heptane (a hydrocarbon).

訊號詞

Danger

危險分類

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

標靶器官

Central nervous system

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 2

閃點(°F)

24.8 °F - closed cup

閃點(°C)

-4 °C - closed cup


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A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination

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