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About This Item
线性分子式:
C6H5CH3
CAS号:
分子量:
92.14
Beilstein:
635760
EC 号:
MDL编号:
UNSPSC代码:
12352002
PubChem化学物质编号:
NACRES:
NA.21
等级:
ACS reagent
方案:
≥99.5%
技术:
toxicology assay: suitable
沸点:
110-111 °C (lit.)
蒸汽压:
22 mmHg ( 20 °C)
26 mmHg ( 25 °C)
26 mmHg ( 25 °C)
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等级
ACS reagent
质量水平
蒸汽密度
3.2 (vs air)
蒸汽压
22 mmHg ( 20 °C)
26 mmHg ( 25 °C)
方案
≥99.5%
表单
liquid
自燃温度
997 °F
expl. lim.
7 %
技术
toxicology assay: suitable
杂质
H2SO4, passes test (darkened)
≤0.003% S compounds
≤0.03% Water
蒸发残留物
≤0.001%
折射率
n/D 1.496 (lit.)
沸点
110-111 °C (lit.)
mp
-93 °C (lit.)
溶解性
acetone: miscible(lit.)
alcohol: miscible(lit.)
carbon disulfide: miscible(lit.)
chloroform: miscible(lit.)
glacial acetic acid: miscible(lit.)
密度
0.865 g/mL at 25 °C (lit.)
SMILES字符串
Cc1ccccc1
InChI
1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI key
YXFVVABEGXRONW-UHFFFAOYSA-N
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一般描述
Toluene, also known as methylbenzene, is a flammable liquid with a pungent odor. It is a constituent of crude oil. Toluene is widely used as a precursor for synthesizing benzene, a gasoline additive, and as a solvent in the paint industry. Its toxicological effects have been investigated. Alkylation of toluene to form p-xylene with high selectivity using modified ZSM (Zeolite Socony Mobil)-5-class zeolite catalysts has been reported. Electrical properties of graphene can be altered by doping it with toluene, which serves as an electron donor. Temperature programmed hydrogenation (TPH) of toluene in the gas phase in the presence of supported metal catalysts has been studied.
警示用语：
Danger
危险分类
Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
靶器官
Central nervous system
储存分类代码
3 - Flammable liquids
WGK
WGK 3
闪点(°F)
39.9 °F - closed cup
闪点(°C)
4.4 °C - closed cup
法规信息
新产品
Temperature programmed hydrogenation of toluene.
Slioor RI, et al.
Catalysis Letters, 121(1-2), 24-32 (2008)
Toluene.
von Burg R.
Journal of Applied Toxicology, 13(6), 441-446 (1993)
Selective alkylation of toluene with methanol to produce para-xylene.
Kaeding WW, et al.
J. Catal., 67(1), 159-174 (1981)
Electrochemical doping of graphene with toluene.
Kaverzin AA, et al.
Carbon, 49(12), 3829-3834 (2011)
Marina Shalaeva et al.
Journal of medicinal chemistry, 56(12), 4870-4879 (2013-05-29)
This study demonstrates that ΔlogP(oct-tol) (difference between logP(octanol) and logP(toluene)) describes compounds propensity to form intramolecular hydrogen bonds (IMHB) and may be considered a privileged molecular descriptor for use in drug discovery and for prediction of IMHB in drug candidates.
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