Basic information
- CAS
54135-82-9- Standard SMILES
COc1cc(Cl)c(Cl)c(Cl)c1- InChIKey
GUCFBWGWRCILHN-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O
- Average molar mass
- 211.5 g/mol
- Monoisotopic mass
- 209.940598
Names & identifiers
- Preferred name
- 3,4,5-Trichloroanisole
- IUPAC
- 1,2,3-trichloro-5-methoxybenzene
- English name
- 3,4,5-Trichloroanisole
- Molecular formula
- C7H5Cl3O
- Molecular weight
- 211.473
Names & synonyms
3,4,5-Trichloroanisole54135-82-9Benzene, 1,2,3-trichloro-5-methoxy-DTXSID30202479RefChem:90906DTXCID80124970GUCFBWGWRCILHN-UHFFFAOYSA-N1,2,3-TRICHLORO-5-METHOXYBENZENEstarbld0020627SCHEMBL1047514SCHEMBL10475151,2,3-Trichloro-5-methoxy-benzene
Show more names
1,2,3-Trichloro-5-ethoxybenzene
1,2,3-Trichloro-5-methoxybenzene #
Database identifiers
- CAS
54135-82-9- PubChem CID
- 41019
- DTXSID
DTXSID30202479- EC Number
- 682-781-3
- Nikkaji
- J530.294C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP4.1
Physicochemical properties
- Henry's Law Constant
- 4.4 · 4.4×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
Uses3,4,5-Trichloroanisole is an intermediate in the synthesis of 1,2,3,6,7,8-Hexachlorodibenzofuran (H265100). 1,2,3,6,7,8-Hexachlorodibenzofuran, is a toxic polychlorinated dibenzofurans (PCDD/F), detected in domestic meat and poultry. It can be used as purified standards for analytical, toxic, and biological studies of these environmental contaminants.
Suppliers2 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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