2,3,4,6-Tetrachloroanisole
Basic information
- CAS
938-22-7- Standard SMILES
COc1c(Cl)cc(Cl)c(Cl)c1Cl- InChIKey
ITXDBGLYYSJNPK-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4O
- Average molar mass
- 245.9 g/mol
- Monoisotopic mass
- 243.901626
Overview
1,2,3,5-Tetrachloro-4-methoxybenzene is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 2,3,4,6-Tetrachloroanisole
- IUPAC
- 1,2,3,5-tetrachloro-4-methoxybenzene
- English name
- 2,3,4,6-Tetrachloroanisole
- Molecular formula
- C7H4Cl4O
- Molecular weight
- 245.92
Names & synonyms
2,3,4,6-TETRACHLOROANISOLE938-22-7Benzene, 1,2,3,5-tetrachloro-4-methoxy-Anisole, 2,3,4,6-tetrachloro-2,4,5,6-TetrachloroanisoleUNII-SJ2G6F3F2YSJ2G6F3F2YDTXSID80239654RefChem:81279DTXCID30162145ITXDBGLYYSJNPK-UHFFFAOYSA-N1,2,3,5-Tetrachloro-4-methoxybenzene
Show more names
2,3,4,6-Tetrachloroanisole (Standard)2,3,4,6-Tetrachloroanisole in methanol2,3,4,6-Tetrachloroanisole 100 μg/mL in Cyclohexane
1,2,3,5-Tetrachloro-4-methoxy-BenzeneMFCD00129714methyl 2,3,4,6-tetrachlorophenyl etherAnisole, 2,3,4,6-tetrachloro- (7CI,8CI); 1,2,3,5-Tetrachloro-4-methoxybenzene; 2,3,4,6-Tetrachloroanisole; 2,4,5,6-Tetrachloroanisole1-Methoxy-2,3,4,6-tetrachlorobenzeneSCHEMBL481060orb3023283orb3026091
Database identifiers
- CAS
938-22-7- PubChem CID
- 13647
- DTXSID
DTXSID80239654- ChEBI
CHEBI:178118- UNII
- SJ2G6F3F2Y
- EC Number
- 633-609-0
- Nikkaji
- J117.112G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP
4.75
4.75
Melting Point64 - 65 °C
Physical DescriptionSolid
Physicochemical properties
- storage temp.
- Store at room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Henry's Law Constant
- 3.1 · 3.1×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- FDA UNII
- 2 G6F3F2Y · SJ2G6F3F2Y
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H315-H318-H411
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
This chemical does not meet GHS hazard criteria for 9.3% (4 of 43) of reports.
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H302+H312-H315-H318-H411
- Precautionary statements
- P264-P270-P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P332+P313-P391-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 1,2,3,5-Tetrachloro-4-methoxybenzene is a member of methoxybenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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