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化合物简介
Toluene is an aromatic hydrocarbon and the mono-substituted derivative of benzene. Toluene is widely used in industry as an building block for pharmaceutical goods and as well as an organic solvent in synthetic preparations. Toluene can also be used as an octane booster in gasoline fuels in internal combustion engines and as jet fuel surrogate.
基本信息
CAS:108-88-3
中文别名:甲基苯;苯基甲烷;
英文别名:Methylbenzol;Methylbenzene;Benzene, methyl-;Phenylmethane;Methacide;Toluen;Toluol;Anisen;PhMe;BnH;MePh;
分子式:C7H8
分子量:92.1384
精确质量:92.0626
Psa:0.0
Logp:1.995
中文别名:甲基苯;苯基甲烷;
英文别名:Methylbenzol;Methylbenzene;Benzene, methyl-;Phenylmethane;Methacide;Toluen;Toluol;Anisen;PhMe;BnH;MePh;
分子式:C7H8
分子量:92.1384
精确质量:92.0626
Psa:0.0
Logp:1.995
编号系统
RTECS号:XS5250000
MDL号:MFCD00008512
PubChem号:24854682
BRN号:635760
EINECS号:203-625-9
MDL号:MFCD00008512
PubChem号:24854682
BRN号:635760
EINECS号:203-625-9
物化性质
外观与性状:无色透明液体,有类似苯的芳香气味。
密度:0.866
沸点:111 °C
熔点:-95 °C
闪点:40°F
折射率:n/D 1.496(lit.)
水溶解性:0.5 g/L (20 ºC)
储存条件:0-6°C
蒸汽密度:3.2 (vs air)
蒸汽压:22 mm Hg ( 20 °C)
密度:0.866
沸点:111 °C
熔点:-95 °C
闪点:40°F
折射率:n/D 1.496(lit.)
水溶解性:0.5 g/L (20 ºC)
储存条件:0-6°C
蒸汽密度:3.2 (vs air)
蒸汽压:22 mm Hg ( 20 °C)
安全信息
RTECS号:XS5250000
安全说明:S36/37; S46; S62; S45
WGK Germany:2
危险类别码:R11; R38; R48/20; R63; R65; R67
海关编码:2902300000
危险品运输编码:UN 1294 3/PG 2
危险类别:3
包装等级:II
危险品标志:F; Xn; T
危险标志:GHS02, GHS07, GHS08
危险性防范说明:P210; P260; P280; P301 + P310; P370 + P378; P403 + P235
危险性描述:H225; H304; H315; H336; H361d; H373
信号词:Danger
安全说明:S36/37; S46; S62; S45
WGK Germany:2
危险类别码:R11; R38; R48/20; R63; R65; R67
海关编码:2902300000
危险品运输编码:UN 1294 3/PG 2
危险类别:3
包装等级:II
危险品标志:F; Xn; T
危险标志:GHS02, GHS07, GHS08
危险性防范说明:P210; P260; P280; P301 + P310; P370 + P378; P403 + P235
危险性描述:H225; H304; H315; H336; H361d; H373
信号词:Danger
生产方法及用途
合成路线
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参考文献
Organic and Biomolecular Chemistry, , vol. 2, # 3 p. 415 - 420
上游原料
下游产品
图谱
1H NMR : Predict
13C NMR : Predict
13C NMR : in CDCl3
13C NMR : in DMSO-d6
13C NMR : in CD2Cl2 at 27C
13C NMR : in CD3OD
13C NMR : in CD3CN
13C NMR : in CDCl3
1H NMR : 90 MHz in CDCl3
1H NMR : parameter in CDCl3
1H NMR : in DMSO-d6
1H NMR : in CD3OD
1H NMR : in CDCl3
1H NMR : in CD3CN
1H NMR : in CD2Cl2 at 27C
ESR : ANION RADICAL, REDUCTION WITH NA OR K METAL IN DME
ESR : X-RAY IRRAD. OF ADAMANTANE RECRYST. FROM TOLUENE
Raman : 4880 A,100M,liquid
Mass
IR : liquid film














