Cas no 3335-33-9 (Benzene,1-methyl-2-(trichloromethyl)-)
3335-33-9 structure
Product Name:Benzene,1-methyl-2-(trichloromethyl)-
Benzene,1-methyl-2-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-2-(trichloromethyl)-
- 1-methyl-2-(trichloromethyl)benzene
- alpha,alpha,alpha-Trichloro-o-xylene
- CBXDCGQZMAUIHD-UHFFFAOYSA-N
- SCHEMBL8947032
- EINECS 222-069-8
- DTXSID30186967
- Benzene, 1-methyl-2-(trichloromethyl)-
- NS00029465
- 3335-33-9
- 1-Methyl-2-(trichloromethyl)benzene #
-
- Inchi： 1S/C8H7Cl3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
- InChI Key： CBXDCGQZMAUIHD-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1C)(Cl)Cl
Computed Properties
- Exact Mass: 207.961
- Monoisotopic Mass: 207.961
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.9
Experimental Properties
- Density: 1.334
- Boiling Point: 239.2°Cat760mmHg
- Flash Point: 150.1°C
- Refractive Index: 1.551
Benzene,1-methyl-2-(trichloromethyl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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