Cas no 16766-29-3 (Benzene,1,2,3-trichloro-4,5-dimethoxy-)
16766-29-3 structure
Product Name:Benzene,1,2,3-trichloro-4,5-dimethoxy-
Benzene,1,2,3-trichloro-4,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,3-trichloro-4,5-dimethoxy-
- 1,2,3-Trichloro-4,5-dimethoxybenzene
- 3,4,5-TRICHLOROVERATROLE
- 3,4,5-Trichloroveratrole1000μg
- Benzene, 3,4,5-trichloro-1,2-dimethoxy
- UNII-5SN98B8992
- 3,4,5-TRICHLORO-1,2-DIMETHOXYBENZENE
- VKNITLPENCJQOP-UHFFFAOYSA-N
- 1,2,3-trichloro-4,5-dimethoxy-benzene
- Benzene, 1,2,3-trichloro-4,5-dimethoxy-
- 4,5,6-TRICHLOROVERATROLE
- AKOS040756978
- CS-0128369
- 5SN98B8992
- SCHEMBL6288225
- 16766-29-3
- HY-133604
- DTXSID70168343
-
- Inchi： 1S/C8H7Cl3O2/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3H,1-2H3
- InChI Key： VKNITLPENCJQOP-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(=C1OC)OC)Cl)Cl
Computed Properties
- Exact Mass: 239.95131
- Monoisotopic Mass: 239.951163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 168
- 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
- XLogP3: 4.1
- Topological Polar Surface Area: 18.5
Experimental Properties
- Density: 1.4916 (rough estimate)
- Melting Point: 66°C
- Boiling Point: 344.15°C (rough estimate)
- Flash Point: 112°C
- Refractive Index: 1.4521 (estimate)
- PSA: 18.46
Benzene,1,2,3-trichloro-4,5-dimethoxy- Related Literature
-
1. 327. The orientation of some veratrole derivatives by hydrogen nuclear magnetic resonance spectroscopyGeoffrey Allen,J. Malcolm Bruce J. Chem. Soc. 1963 1757
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