Basic information
- CAS
1530-45-6- Standard SMILES
CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
VJVZPTPOYCJFNI-UHFFFAOYSA-M- Molecular formula
- C22H22BrO2P
- Average molar mass
- 429.3 g/mol
- Monoisotopic mass
- 428.05407867
Names & identifiers
- Preferred name
- (Ethoxycarbonylmethyl)triphenylphosphonium bromide
- IUPAC
- (2-ethoxy-2-oxoethyl)-triphenylphosphanium bromide
- English name
- (Carbethoxymethyl)triphenylphosphonium bromide
- Molecular formula
- C22H22BrO2P
- Molecular weight
- 429.29
Names & synonyms
(Ethoxycarbonylmethyl)triphenylphosphonium bromidePhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, bromideRefChem:406453216-230-11530-45-6(Carbethoxymethyl)triphenylphosphonium bromide(2-Ethoxy-2-oxoethyl)triphenylphosphonium bromideTriphenyl(carbethoxymethyl)phosphonium bromideEthoxycarbonylmethyl(triphenyl)phosphonium BromideMFCD00011835DTXSID40934653CS-M0617
Show more names
SKL715CEMTPPBNSC 60450(EthoxycarbonyL(Carbethoxymethyl)tr...(CarbethoxyMethyl)triphenylpho(CARBETHOXYMETHYL)TRIPHENYLPHOSP(Carboethoxymethyl)triphenylphosphoniEthoxycarbonyltriphenylphosphoniumbromideethyl (triphenylphosphonio)acetate bromide
(2-Ethoxy-2-oxoethyl)-triphenylphosphanium;bromideNSC-60450AKOS002534030ETHOXYCARBONYLMETHYL-TRIPHENYL-PHOSPHONIUM BROMIDE(CARBOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE ETHYL ESTER(2-Ethoxy-2-oxoethyl) triphenylphosphonium bromide(CARBOETHOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDECarbethoxymethylenetriphenylphosphonium bromide
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 145 · 145-150 °C (dec.) (lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- color
- White
- Water Solubility
- It is soluble in water.
- Sensitive
- Hygroscopic
- BRN
- 3581273 · 3581273
- InChI
- 1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
- InChIKey
- VJVZPTPOYCJFNI-UHFFFAOYSA-M
- SMILES
- [Br-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 1530 · 1530-45-6(CAS DataBase Reference)
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
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
Regulatory InformationPhosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- TA2299500
- hs_code
- 29310095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Uses(Ethoxycarbonylmethyl)triphenylphosphonium bromide, is used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd
Related reactions
24 records
Compound notes
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