1,1′-BIS(DI-TERT-BUTYLPHOSPHINO)FERROCENE CAS#: 84680-95-5; 凯望编码 (ChemWhat Code): 38731

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名1,1′-BIS(DI-TERT-BUTYLPHOSPHINO)FERROCENE CAS#: 84680-95-5
IUPAC Nameditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
分子结构
CAS编号 84680-95-5
EINECS NumberNo data available
MDL NumberMFCD01630818
Beilstein Registry NumberNo data available
别名1,1′-bis(di-tertbutylphosphino)ferrocene(di-tert-butylphosphino)ferrocene1,1′-bis(di-t-butylphosphino)ferrocenedtbpf1,1’-bis(di-tert-butylphosphino)ferrocene1,1′-bis(di-tert-butylphosphino)ferrocene1,1′-bis[bis(1,1-dimethylethyl)-phosphino]ferrocene
分子式C26H44FeP2
分子量474.431
InChIInChI=1S/2C13H27P.Fe/c21-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h211H,7-10H2,1-6H3;
InChI KeyUZYCNUZAAUDQLS-UHFFFAOYSA-N
Canonical SMILESCC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.[Fe]
Patent Information
No data available

Physical Data

AppearanceYellow to brown solid
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hchloroform-d1400
Chemical shifts, Spectrum31Pchloroform-d1400
Description (Mass Spectrometry)
high resolution mass spectrometry (HRMS), spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1
in the presence of additive(s)1,2-dichloro-ethane308, 4546100, 1040

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1,1'-BIS(DI-TERT-BUTYLPHOSPHINO)FERROCENE CAS# 84680-95-5
Route of Synthesis (ROS) of 1,1′-BIS(DI-TERT-BUTYLPHOSPHINO)FERROCENE CAS# 84680-95-5
ConditionsYield
In chloroform for 24h; Reflux;70%
In chloroform (Ar); std. Schlenk technique; soln. of Fe complex and S in CHCl3 was refluxed with stirring for 3 h; cooled to room temp.; filtered; filtrate concd. (vac.); MeOH added; keptin freezer for 18 h; filtered; dried (vac.); elem. anal.;61%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, 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
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
分子量94.116
logP-0.047
HBA2
HBD1
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)38.91
Rotatable Bond (RotB)0
Matching Veber Rules2
Use Pattern
Commonly used for phosphorus ligands

试剂采购

没有试剂厂商? 向凯望发送快速询价
想要被列为试剂厂商? (付费服务) 点击这里联系凯望

认证生产商

Warshel Chemical Ltdhttp://www.warshel.com/
想要被列为认证生产商 (需要通过认证)? 请下载并填写 这份表格并发邮件到approved-manufacturers@chemwhat.com

其他供应商

Watson International Limited 访问Watson官网

如需其他帮助，请联系我们

联系我们获取其它信息或服务 点击这里联系凯望