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
Ahmad El-Hellani et al.
Chemical research in toxicology, 28(8), 1532-1537 (2015-07-15)
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
Sylvie Mavel et al.
Bioorganic & medicinal chemistry, 20(4), 1388-1395 (2012-02-04)
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
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
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