Basic information
- CAS
16766-29-3- Standard SMILES
COc1cc(Cl)c(Cl)c(Cl)c1OC- InChIKey
VKNITLPENCJQOP-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O2
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.951163
Names & identifiers
- Preferred name
- Benzene, 1,2,3-trichloro-4,5-dimethoxy-
- IUPAC
- 1,2,3-trichloro-4,5-dimethoxybenzene
- English name
- Benzene, 1,2,3-trichloro-4,5-dimethoxy-
- Molecular formula
- C8H7Cl3O2
- Molecular weight
- 241.5
Names & synonyms
3,4,5-Trichloroveratrole16766-29-3Benzene, 1,2,3-trichloro-4,5-dimethoxy-1,2,3-TRICHLORO-4,5-DIMETHOXYBENZENEBenzene,1,2,3-trichloro-4,5-dimethoxy-5SN98B89921,2,3-trichloro-4,5-dimethoxy-benzeneorb1691536SCHEMBL6288225UNII-5SN98B8992DTXSID701683434,5,6-TRICHLOROVERATROLE
Show more names
AKOS040756978Benzene, 3,4,5-trichloro-1,2-dimethoxyDB-330871HY-133604CS-01283693,4,5-TRICHLORO-1,2-DIMETHOXYBENZENET39144
Database identifiers
- CAS
16766-29-3- PubChem CID
- 28049
- DTXSID
DTXSID70168343- UNII
- 5SN98B8992
- Nikkaji
- J593.433H
Properties
Computed structural properties
- 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
LogP4.01
Physicochemical properties
- Melting point
- 66 °C · 66°C
- Boiling point
- 344.15 °C · 344.15°C (rough estimate)
- Density
- 1.4916 · 1.4916 (rough estimate)
- refractive index
- 1.4521 · 1.4521 (estimate)
- Water Solubility
- 42.65 ug/L · 42.65ug/L(25 ºC)
- Henry's Law Constant
- 2.7 · 2.7×10-1 mol/(m3Pa) at 25℃, Lei et al. (1999)
- FDA UNII
- 5 SN98B8992 · 5SN98B8992
- EPA Substance Registry System
- 1 · Benzene, 1,2,3-trichloro-4,5-dimethoxy- (16766-29-3)
Chemistry & industry
Applications
Uses3,4,5-Trichloroveratrole is one of the biodegradation products of bacterial O-methylation of Tri- and Tetra chloroguaiacols. The Tri- and Tetra chloroguaiacols are formed during bleaching of wood pulp in the paper manufacturing industry[1].
Suppliers1 total
銳迪國際科技有限公司18024082417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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