2-Chloro-4-nonylphenol
Basic information
- CAS
60044-33-9- Standard SMILES
CCCCCCCCCc1ccc(O)c(Cl)c1- InChIKey
HJBUWTLHZIRBIM-UHFFFAOYSA-N- Molecular formula
- C15H23ClO
- Average molar mass
- 254.79 g/mol
- Monoisotopic mass
- 254.143743
Names & identifiers
- Preferred name
- 2-Chloro-4-nonylphenol
- IUPAC
- 2-chloro-4-nonylphenol
- English name
- 2-chloro-4-nonylphenol
- Molecular formula
- C15H23ClO
- Molecular weight
- 254.8
Names & synonyms
2-CHLORO-4-NONYLPHENOLPhenol, 2-chloro-4-nonyl-EINECS 262-034-487R5T63ABYNSC-402635AI3-18979DTXSID0069381NSC 402635RefChem:86271DTXCID5042748262-034-460044-33-9
Show more names
NSC402635UNII-87R5T63ABYSCHEMBL3965946HJBUWTLHZIRBIM-UHFFFAOYSA-NAKOS005137918DB-303054NS00034291
Database identifiers
- CAS
60044-33-9- PubChem CID
- 43176
- DTXSID
DTXSID0069381- UNII
- 87R5T63ABY
- EC Number
- 262-034-4
- Nikkaji
- J298.765A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 342.8 · 342.8±22.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.20(Predicted)
- FDA UNII
- 87 R5T63ABY · 87R5T63ABY
- EPA Substance Registry System
- 2 · 2-Chloro-4-nonylphenol (60044-33-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPhenol, 2-chloro-4-nonyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-chloro-4-nonyl-: ACTIVE
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Compound notes
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