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Basic information
- CAS
2668-24-8- Standard SMILES
COc1cc(Cl)c(Cl)c(Cl)c1O- InChIKey
NIAJPNQTKGWEOI-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O2
- Average molar mass
- 227.474 g/mol
- Monoisotopic mass
- 225.93551244
Names & identifiers
- Preferred name
- 4,5,6-Trichloroguaiacol
- IUPAC
- 2,3,4-Trichloro-6-methoxyphenol
- English name
- 4,5,6-trichloroguaiacol
- Molecular formula
- C7H5Cl3O2
- Molecular weight
- 227.47
Names & synonyms
4,5,6-trichloroguaiacol2-METHOXY-4,5,6-TRICHLOROPHENOLPhenol, 2,3,4-trichloro-6-methoxy-
Database identifiers
- CAS
2668-24-8- PubChem CID
- 17577
- DTXSID
DTXSID00858745- UNII
- 39Q8MK30WF
- Nikkaji
- J344.893B
Properties
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 325.7 °C · 325.7°C (rough estimate)
- Density
- 1.5661 · 1.5661 (rough estimate)
- refractive index
- 1.4483 · 1.4483 (estimate)
- pka
- 7.11 · 7.11±0.28(Predicted)
- Henry's Law Constant
- 7.4 · 7.4×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- FDA UNII
- 39 Q8MK30WF · 39Q8MK30WF
- EPA Substance Registry System
- 4 · 4,5,6-Trichloroguaiacol (2668-24-8)
- Toxicity
- 30 mg/L · msc-ham-lng 30 mg/L CMSHAF 14,1617,85
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- msc-ham-lng 30 mg/L CMSHAF 14,1617,85
Chemistry & industry
Applications
Uses4,5,6-Trichloroguaiacol is a phenolic compound occurring in effluents from bleached kraft pulp mills[1].
Suppliers3 total
銳迪國際科技有限公司18024082417 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
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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