(Formylmethyl)triphenylphosphonium chloride
Basic information
- CAS
62942-43-2- Standard SMILES
O=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
ONKFMORVDUPLGP-UHFFFAOYSA-M- Molecular formula
- C20H18BrOP
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 384.02786
Names & identifiers
- Preferred name
- (Formylmethyl)triphenylphosphonium chloride
- IUPAC
- 2-oxoethyl(triphenyl)phosphanium bromide
- English name
- (Formylmethyl)triphenylphosphonium chloride
- Molecular formula
- C20H18ClOP
- Molecular weight
- 340.79
Names & synonyms
EINECS 263-767-2RefChem:406490263-767-2(Formylmethyl)triphenylphosphonium chlorideFormylmethyl triphenylphosphonium chlorideSCHEMBL6046249DTXSID80978778AKOS015917553(2-Oxoethyl)(triphenyl)phosphanium bromide(2-Oxoethyl)tri(phenyl)phosphanium bromideD90661FMC
Show more names
LABOTEST-BB LT002331332-oxoethyl(triphenyl)phosphanium2-OXOETHYLTRIPHENYLPHOSPHONIUM CHLORIDEFORMYLMETHYLTRIPHENYLPHOSPHONIUM &FORMYLMETHYLTRIPHENYLPHOSPHONIUM CHLORIDTRIPHENYLFORMYLMETHYLPHOSPHONIUM CHLORIDEPhosphonium, (2-oxoethyl)triphenyl-, chloride(Formylmethyl)triphenylphosphoniumChloride>
Database identifiers
- CAS
62942-43-2- PubChem CID
- 3085256
- DTXSID
DTXSID80978778- EC Number
- 263-767-2
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 209 · 209-212 °C (dec.) (lit.)
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- Light yellow to Yellow to Orange
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- BRN
- 4060813 · 4060813
- InChI
- 1S/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1
- InChIKey
- RVEJRPJGKXTQIF-UHFFFAOYSA-M
- SMILES
- [Cl-].O=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 62942 · 62942-43-2(CAS DataBase Reference)
- UNSPSC Code
- 12352114 · 12352114
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 1759
- hs_code
- 29319090
- risk_code
- 22-41-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,C
- safety_code
- 26-39-45-36/37/39-27
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P501
Chemistry & industry
Applications
UsesReactant for:• ;Hydroazidation reactions in preparation of a-azido alcohols1• ;Preparation of prodrug (2-hydroxyamino-vinyl)-triphenyl-phosphonium (HVTP) inhibitor of peroxidase activity and apoptosis2• ;Intramolecular [4 + 3] cycloaddition reactions3
Uses(Formylmethyl)triphenylphosphonium Chloride is a useful Wittig reagent. Used as a reactant for Hydroazidation reactions in preparation of a-azido alcohols, Preparation of prodrug (2-hydroxyamino-vinyl)-triphenyl-phosphonium (HVTP) inhibitor of peroxidase activity and apoptosis and Intramolecular [4 + 3] cycloaddition reactions.
Upstream & downstream products
Downstream products
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Compound notes
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