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Merck
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重要文件

644463

Sigma-Aldrich

甲苯

purification grade, 99.8%

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About This Item

線性公式:
C6H5CH3
CAS號碼:
分子量::
92.14
Beilstein:
635760
EC號碼:
MDL號碼:
分類程式碼代碼:
12352002
PubChem物質ID:

等級

purification grade

蒸汽密度

3.2 (vs air)

蒸汽壓力

22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

化驗

99.8%

形狀

liquid

自燃溫度

997 °F

expl. lim.

7 %

蒸發殘留物

≤0.0005%

顏色

colorless

折射率

n/D 1.496 (lit.)

bp

110-111 °C (lit.)

mp

-93 °C (lit.)

密度

0.865 g/mL at 25 °C (lit.)

SMILES 字串

Cc1ccccc1

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

InChI 密鑰

YXFVVABEGXRONW-UHFFFAOYSA-N

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訊號詞

Danger

危險分類

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - 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 3

閃點(°F)

39.9 °F - closed cup

閃點(°C)

4.4 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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分析證明 (COA)

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As with other tobacco aerosols, nicotine delivery from e-cigarettes (ECIG) depends on the total nicotine and its partitioning between free-base (Nic) and protonated (NicH(+)) forms. Previous studies of ECIG nicotine emissions have generally reported "nicotine yield" without attention to whether
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The dopamine transporter (DAT) plays a pivotal role in the regulation of dopamine neurotransmission, and is involved in a number of physiological functions and brain disorders. Furthermore the DAT analysis by molecular imaging techniques is a useful tool for the
Alan P Graves et al.
Journal of medicinal chemistry, 48(11), 3714-3728 (2005-05-27)
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting
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
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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