Basic information
- CAS
56961-23-0- Standard SMILES
Oc1c(Cl)c(O)c(Cl)c(O)c1Cl- InChIKey
MHKCQYLJFGNSQZ-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O3
- Average molar mass
- 229.4 g/mol
- Monoisotopic mass
- 227.914777
Names & identifiers
- Preferred name
- Trichlorophloroglucinol
- IUPAC
- 2,4,6-trichlorobenzene-1,3,5-triol
- English name
- trichlorophloroglucinol
- Molecular formula
- C6H3Cl3O3
- Molecular weight
- 229.44522
Names & synonyms
Trichlorophloroglucinol2,4,6-trichlorobenzene-1,3,5-triol56961-23-0Phloroglucinol, trichloro-Trichloro-1,3,5-trihydroxybenzeneEINECS 260-467-32,4,6-Trichloro-1,3,5-benzenetriol2,4,6-TrichlorophloroglucinolTrichlorphloroglucin2,4,6-trichloro-1,3,5-trihydroxybenzeneSCHEMBL11314567DTXSID70205525
Show more names
MFCD01742616AKOS025148700NS00033610H83704
Database identifiers
- CAS
56961-23-0- PubChem CID
- 92590
- DTXSID
DTXSID70205525- EC Number
- 260-467-3
- Nikkaji
- J267.150F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 136 °C · 136°C
- Boiling point
- 328.34 °C · 328.34°C (rough estimate)
- Density
- 1.7349 · 1.7349 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers3 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…