Basic information
- CAS
90601-08-4- Standard SMILES
CCC(C=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
DCKVHIDYCFPCLP-UHFFFAOYSA-N- Molecular formula
- C22H21OP
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13300192
Names & identifiers
- Preferred name
- 2-(Triphenylphosphoranylidene)butyraldehyde
- IUPAC
- 2-(triphenyl-λ5-phosphanylidene)butanal
- English name
- 2-(Triphenylphosphoranylidene)butyraldehyde
- Molecular formula
- C22H21OP
- Molecular weight
- 332.38
Names & synonyms
2-(Triphenylphosphoranylidene)butyraldehyde90601-08-4DTXSID90404558RefChem:254983DTXCID103554122-(triphenyl-lambda5-phosphanylidene)butanal2-(Triphenylphosphoranylidene)butanal2-(triphenylylidene)butanalSCHEMBL1377677DCKVHIDYCFPCLP-UHFFFAOYSA-NAKOS0159134512-(triphenyl-phosphanylidene)-butyraldehyde
Show more names
Butanal, 2-(triphenylphosphoranylidene)-
ST510383002-(Triphenyl-lambda~5~-phosphanylidene)butanal2-(Triphenylphosphoranylidene)butyraldehyde, 98%
Database identifiers
- CAS
90601-08-4- PubChem CID
- 4585592
- DTXSID
DTXSID90404558- Nikkaji
- J1.800.850E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 172 · 172-175 °C(lit.)
- Boiling point
- 489.6 · 489.6±28.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
17 records
Compound notes
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