2,4,6-Trichlororesorcinol
Basic information
- CAS
26378-73-4- Standard SMILES
Oc1c(Cl)cc(Cl)c(O)c1Cl- InChIKey
NHOATJNESSAPCQ-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O2
- Average molar mass
- 213.4 g/mol
- Monoisotopic mass
- 211.919862
Names & identifiers
- Preferred name
- 2,4,6-Trichlororesorcinol
- IUPAC
- 2,4,6-trichlorobenzene-1,3-diol
- English name
- 2,4,6-trichlororesorcinol
- Molecular formula
- C6H3Cl3O2
- Molecular weight
- 213.45
Names & synonyms
26378-73-42,4,6-TrichlororesorcinolEINECS 247-639-3DTXSID60180978NSC 36930RefChem:82108DTXCID00103469247-639-32,4,6-trichlorobenzene-1,3-diol1,3-Benzenediol, 2,4,6-trichloro-MFCD00179932C6H3Cl3O2
Show more names
2,4,6-Trichloro-1,3-benzenediol
NSC369302,6-Trichlororesorcinol2,4,6-Trichlor-resorcinResorcinol,4,6-trichloro-1, 2,4,6-trichloro-SCHEMBL68191CHEMBL2332785BBA37873
Database identifiers
- CAS
26378-73-4- PubChem CID
- 93100
- DTXSID
DTXSID60180978- ChEMBL
CHEMBL2332785- EC Number
- 247-639-3
- Nikkaji
- J248.916C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 83 °C · 83 °C(Solv: water (7732-18-5))
- Boiling point
- 265.9 · 265.9±35.0 °C(Predicted)
- Density
- 1.747 · 1.747±0.06 g/cm3(Predicted)
- pka
- 6.08 · 6.08±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2908190090 · 2908190090
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
- hs_code
- 2908190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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