METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE

Catalog No: FT-0628595

CAS No: 2181-98-8

Chemical Name: METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE
Molecular Formula: C23H22BrO2P
Molecular Weight: 441.3 g/mol
InChI Key: KSTXYAKHACCZSD-NWBUNABESA-M
InChI: InChI=1S/C23H22O2P.BrH/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-18H,19H2,1H3;1H/q+1;/p-1/b18-11+;

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	175°C (dec.)
CAS:	2181-98-8
MF:	C23H22BrO2P
Flash_Point:	N/A
Product_Name:	methyl 4-(triphenylphosphonio)crotonate bromide
Density:	N/A
FW:	441.29700
Bolling_Point:	N/A

Melting_Point:	175°C (dec.)
MF:	C23H22BrO2P
Exact_Mass:	440.05400
LogP:	0.71370
FW:	441.29700
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/ml,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）175 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）Unknow ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,100ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
PSA:	39.89000
Computational_Chemistry:	['1 . XlogP ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 27 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 409 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 2']