Basic information
- CAS
2539-26-6- Standard SMILES
COc1c(O)c(OC)c(Cl)c(Cl)c1Cl- InChIKey
ZZCSBXFJFLSDRR-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O3
- Average molar mass
- 257.5 g/mol
- Monoisotopic mass
- 255.946077
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,4,5-Trichloro-2,6-dimethoxyphenol
- IUPAC
- 3,4,5-trichloro-2,6-dimethoxyphenol
- English name
- 3,4,5-trichloro-2,6-dimethoxyphenol
- Molecular formula
- C8H7Cl3O3
- Molecular weight
- 257.5
Names & synonyms
3,4,5-Trichlorosyringol3,4,5-Trichloro-2,6-dimethoxyphenol2539-26-6RefChem:90903TrichlorosyringolCCRIS 4060Phenol, 3,4,5-trichloro-2,6-dimethoxy-orb1690782SCHEMBL9188444DTXSID7074246ZZCSBXFJFLSDRR-UHFFFAOYSA-NAKOS040757843
Show more names
Trichlorosyringol in isopropanol
DA-69861HY-133606CS-0128383T40181
Database identifiers
- CAS
2539-26-6- PubChem CID
- 17344
- DTXSID
DTXSID7074246- Nikkaji
- J569.094C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
LogP3.74
Physicochemical properties
- Boiling point
- 337.201 · 337.201±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.633 · 7.633±0.33(predicted)
- Henry's Law Constant
- 4.5 · 4.5×101 mol/(m3Pa) at 25℃, Lei et al. (1999)
- EPA Substance Registry System
- Trichlorosyringol (2539-26-6)
Chemistry & industry
Applications
Uses3,4,5-Trichlorosyringol is a chlorophenolic compound synthetised by chlorination of syringol in carbon disulphide (CS2)[1].
Upstream & downstream products
Upstream raw materials
Suppliers4 total
銳迪國際科技有限公司18024082417 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [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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