1,6-Diphenyl-1,6-hexanedione
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Basic information
- CAS
3375-38-0- Standard SMILES
O=C(CCCCC(=O)c1ccccc1)c1ccccc1- InChIKey
VRBLNWVVFVBNRK-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- 1,6-Diphenyl-1,6-hexanedione
- IUPAC
- 1,6-diphenylhexane-1,6-dione
- English name
- 1,4-Dibenzoylbutane
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
3375-38-01,6-Diphenylhexane-1,6-dione1,6-Diphenyl-1,6-hexanedioneDTXSID20187423RefChem:1053522DTXCID30109914222-166-51,4-DibenzoylbutaneButane, 1,4-dibenzoyl-1,6-Hexanedione, 1,6-diphenyl-MFCD00004761MLS002637553
Show more names
CDMO1,6-Diphenyl-1,6-hexadione2-[2-(diphenylmethylene)hydrazinyl]-2-phenylacetamide
Butane,4-dibenzoyl-1, 1,6-diphenyl-1,6-diphenyl-hexane-1,6-dioneNSC11591,4-dibenzoylbutanEINECS 222-166-51,4-Dibenzoyl-butane1,4-Dibenzoylbutane, 97%
Database identifiers
- CAS
3375-38-0- PubChem CID
- 76903
- DTXSID
DTXSID20187423- ChEMBL
CHEMBL1881730- EC Number
- 222-166-5
- Nikkaji
- J105.083D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 106 · 106-108 °C(lit.)
- Boiling point
- 433.5 · 433.5±28.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- CAS DataBase Reference
- 3375 · 3375-38-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1,4-Dibenzoyl-butane(3375-38-0)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H361-H372-H410
- Precautionary statements
- 201 · P201-P264-P280-P301+P330+P331-P312
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
- wgk
- 3
- hs_code
- 2914.39.9000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H361-H372-H410
- Precautionary statements
- P201-P264-P280-P301+P330+P331-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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