1,3,4-Trichloro-2,5-dimethoxybenzene
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Basic information
- CAS
61465-81-4- Standard SMILES
COc1cc(Cl)c(OC)c(Cl)c1Cl- InChIKey
DUFMNUZVJOWJAI-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O2
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.951163
Names & identifiers
- Preferred name
- 1,3,4-Trichloro-2,5-dimethoxybenzene
- IUPAC
- 1,3,4-trichloro-2,5-dimethoxybenzene
- English name
- Trichloro-1,4-dimethoxybenzene
- Molecular formula
- C8H7Cl3O2
- Molecular weight
- 241.5
Names & synonyms
1,3,4-Trichloro-2,5-dimethoxybenzeneTrichloro-1,4-dimethoxybenzene69653-71-02,5-Dimethoxy-1,3,4-trichlorobenzeneBenzene, trichlorodimethoxy-61465-81-4UNII-4A5M391L25Benzene, 1,3,4-trichloro-2,5-dimethoxy-4A5M391L25orb1992258DTXSID50867842AKOS040734494
Show more names
FS-78271,3,4-Trichloro-2,5-dimethoxy-benzene2,3,5-TRICHLORO-1,4-DIMETHOXYBENZENET124369Q27259332
Database identifiers
- CAS
61465-81-4、69653-71-0- PubChem CID
- 43666
- DTXSID
DTXSID50867842- UNII
- 4A5M391L25
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 302.1 · 302.1±37.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- FDA UNII
- 4 A5M391L25 · 4A5M391L25
- EPA Substance Registry System
- 1 · 1,3,4-Trichloro-2,5-dimethoxybenzene (69653-71-0)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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