Basic information
- CAS
73986-52-4- Standard SMILES
CCCCCCCCc1cc(Cl)c(O)c(Cl)c1- InChIKey
PJUWJQDQGVXGEI-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2O
- Average molar mass
- 275.2 g/mol
- Monoisotopic mass
- 274.0891206
Names & identifiers
- Preferred name
- Phenol, 2,6-dichloro-4-octyl-
- IUPAC
- 2,6-dichloro-4-octylphenol
- English name
- 2,6-Dichloro-4-octylphenol
- Molecular formula
- C14H20Cl2O
- Molecular weight
- 275.21
Names & synonyms
Phenol, 2,6-dichloro-4-octyl-2,6-DICHLORO-4-OCTYLPHENOL73986-52-4GZV2TH3TDVNSC-402634DTXSID1074676RefChem:1094793DTXCID10476032,6-Dichloro-4-octylphenol-Phenol,2,6-dichloro-4-octyl-NSC 402634NSC402634
Show more names
WLN: QR BG FG D8Phenol,6-dichloro-4-octyl-SCHEMBL9070242
Database identifiers
- CAS
73986-52-4- PubChem CID
- 52833
- DTXSID
DTXSID1074676- UNII
- GZV2TH3TDV
- Nikkaji
- J79.303E
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 338.5 · 338.5±37.0 °C(Predicted)
- Density
- 1.1003 · 1.1003 (estimate)
- pka
- 7.25 · 7.25±0.25(Predicted)
- FDA UNII
- 2 TH3TDV · GZV2TH3TDV
- EPA Substance Registry System
- 2 · Phenol, 2,6-dichloro-4-octyl- (73986-52-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- 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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