Basic information
- CAS
944-61-6- Standard SMILES
COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC- InChIKey
NCYHCGGUQGDEQW-UHFFFAOYSA-N- Molecular formula
- C8H6Cl4O2
- Average molar mass
- 275.9 g/mol
- Monoisotopic mass
- 273.91219
Names & identifiers
- Preferred name
- Tetrachloroveratrole
- IUPAC
- 1,2,3,4-tetrachloro-5,6-dimethoxybenzene
- English name
- TETRACHLOROVERATROL
- Molecular formula
- C8H6Cl4O2
- Molecular weight
- 275.94
Names & synonyms
Tetrachloroveratrole944-61-6Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-UNII-908Y6Q0O543,4,5,6-TETRACHLOROVERATROLE908Y6Q0O54DTXSID70739393,4,5,6-TETRACHLORO-1,2-DIMETHOXYBENZENEVERATROLE, 3,4,5,6-TETRACHLORO-RefChem:188448DTXCID9048932NCYHCGGUQGDEQW-UHFFFAOYSA-N
Show more names
TETRACHLOROVERATROL1,2-Dimethoxy-3,4,5,6-tetrachlorobenzene
1,2,3,4-Tetrachloro-5,6-dimethoxybenzeneorb1690126SCHEMBL9215885AKOS040758481DB-335771HY-133605CS-0128376NS00002468
Database identifiers
- CAS
944-61-6- PubChem CID
- 13677
- DTXSID
DTXSID7073939- UNII
- 908Y6Q0O54
- EC Number
- 898-390-8
- Nikkaji
- J109.004F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP4.86
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 386.49 °C · 386.49°C (rough estimate)
- Density
- 1.6222 · 1.6222 (rough estimate)
- refractive index
- 1.5282 · 1.5282 (estimate)
- Water Solubility
- 1.59 mg/L · 1.59mg/L(25 ºC)
- Henry's Law Constant
- 9.1 · 9.1×10-2 mol/(m3Pa) at 25℃, Lei et al. (1999)
- FDA UNII
- 908 Y6Q0O54 · 908Y6Q0O54
- EPA Substance Registry System
- 1 · Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy- (944-61-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesTetrachloroveratrole 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].
Suppliers2 total
銳迪國際科技有限公司18024082417 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…