(4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
Basic information
- CAS
2181-98-8- Standard SMILES
COC(=O)/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
KSTXYAKHACCZSD-NWBUNABESA-M- Molecular formula
- C23H22BrO2P
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 440.05408
Names & identifiers
- Preferred name
- (4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
- IUPAC
- [(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium bromide
- English name
- Methyl 4-(triphenylphosphonio)crotonate bromide
- Molecular formula
- C23H22BrO2P
- Molecular weight
- 441.3
Names & synonyms
2181-98-8EINECS 218-557-5(4-Methoxy-4-oxo-2-butenyl)triphenylphosphonium bromideRefChem:402930218-557-5METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromideMFCD0003157572967-11-4[(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide(E)-(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromideC23H22BrO2P
Show more names
METHYL-4-(TRIPHENYLPHOSPONIO)CROTONATE BROMIDEMethyl 4-(triphenylphosphonio)crotonate bromide, 98 %(3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide(E)-4-methoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium bromide(3-(METHOXYCARBONYL)-2-PROPEN-1-YL)TRIPHENYLPHOSPHONIUM BROMIDE
[(2E)-4-methoxy-4-oxobut-2-en-1-yl]triphenylphosphanium bromideSCHEMBL2449046KSTXYAKHACCZSD-NWBUNABESA-MAKOS017345142H27330(E)-(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphoniumbromide[(E)-4-methoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium;bromide
Database identifiers
- CAS
2181-98-8- PubChem CID
- 6450201
- EC Number
- 218-557-5
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 175 °C · 175°C (dec.)
- Sensitive
- Hygroscopic
- BRN
- 4173385 · 4173385
- CAS DataBase Reference
- 2181 · 2181-98-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesMethyl 4-(triphenylphosphonio)crotonate Bromide was used in the stereospecific synthesis of (+)-oxybiotin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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