644463
甲苯
purification grade, 99.8%
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关于此项目
线性分子式:
C6H5CH3
化学文摘社编号:
分子量:
92.14
EC Number:
203-625-9
UNSPSC Code:
12352002
PubChem Substance ID:
Beilstein/REAXYS Number:
635760
MDL number:
Assay:
99.8%
Grade:
purification grade
Bp:
110-111 °C (lit.)
Vapor pressure:
22 mmHg ( 20 °C), 26 mmHg ( 25 °C)
grade
purification grade
vapor density
3.2 (vs air)
vapor pressure
22 mmHg ( 20 °C), 26 mmHg ( 25 °C)
assay
99.8%
form
liquid
autoignition temp.
997 °F
expl. lim.
7 %
evapn. residue
≤0.0005%
color
colorless
refractive index
n/D 1.496 (lit.)
bp
110-111 °C (lit.)
mp
-93 °C (lit.)
density
0.865 g/mL at 25 °C (lit.)
SMILES string
Cc1ccccc1
InChI
1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI key
YXFVVABEGXRONW-UHFFFAOYSA-N
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signalword
Danger
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
39.9 °F - closed cup
flash_point_c
4.4 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
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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
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
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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| 货号 | GTIN |
|---|---|
| 644463-4L | 04061837234552 |
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