9,9-二甲基-4,5-双(二叔丁基膦)二苯并-Γ-吡喃

di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane

HCID 16218202CAS 856405-77-1

子结构检索查找相似结构

基本信息

标准SMILES: CC1(C)c2cccc(P(C(C)(C)C)C(C)(C)C)c2Oc2c(P(C(C)(C)C)C(C)(C)C)cccc21
InChIKey: ZEIZANJFJXHMNS-UHFFFAOYSA-N
分子式: C31H48OP2
平均分子量: 498.7 g/mol
单同位素质量: 498.31803942

名称与标识

首选名称: di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane
IUPAC: ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
中文名: 9,9-二甲基-4,5-双(二叔丁基膦)二苯并-Γ-吡喃
英文名: 9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENE, MIN. 97% T-BU-XANTPHOS
分子式: C31H48OP2
分子量: 498.67

名称与别名

DI-TERT-BUTYL[5-(DI-TERT-BUTYLPHOSPHANYL)-9,9-DIMETHYL-9H-XANTHEN-4-YL]PHOSPHANEdi-tert-butyl(5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl)phosphaneRefChem:586120894-633-7856405-77-1(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphine)9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthenet-Bu-XantphosMFCD07781995ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENEC31H48OP2

展开更多名称

4,5-双(二叔丁基膦)-9,9-二甲基氧杂蒽4,5-双[二叔丁基膦基]-9,9-二甲基-9H-吨9,9-二甲基-4,5-双(二叔丁基膦)二苯并-Γ-吡喃(9,9-二甲基-9H-呫吨-4,5-二基)双(二叔丁基膦)(9,9-二甲基-9H-氧杂蒽-4,5-二基)双(二叔丁基膦)9,9-二甲基-4,5-双(二叔丁基膦)二苯并-Γ-吡喃 5G4,5-双(二叔丁基膦)-9,9-二甲基氧杂蒽 T-BU-XANTPHOS97% t-Bu-XANTPHOSphosphino)xanthene-4,5-bis(di-t-butyLphosphino)xanthene t-Bu-XANTPHOS9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene 97%4,5-Bis[di(tert-butyl)phosphino]-9,9-dimethyl-9H-xanthene9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene,min.97%9,9-Dimethyl-4,5-bis(di -tert-butylphosphino) -9H-xanthene9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene, min. 97%

CS-W009619EN300-7358813Phosphine, 1,1'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-bis(1,1-dimethylethyl)-9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene, 97%(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphane)t-Butyl-Xantphos9,9-DiMethyl-4,5-bis(SCHEMBL1315091

数据库标识

CAS: 856405-77-1
PubChem CID: 16218202
DTXSID: DTXSID50584820
EC Number: 894-633-7
Nikkaji: J2.474.012I

性质

结构计算性质

XLogP: 7.4
极性表面积: 9.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 6
重原子: 34
形式电荷: 0
复杂度: 613

物理化学性质

熔点: 153 · 153-157℃
沸点: 563.1 · 563.1±50.0 °C(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
形态: Powder
颜色: white to light yellow
InChI: 1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
InChIKey: ZEIZANJFJXHMNS-UHFFFAOYSA-N
SMILES: CC(C)(C)P(c1cccc2c1Oc3c(cccc3C2(C)C)P(C(C)(C)C)C(C)(C)C)C(C)(C)C
CAS 数据库: 856405 · 856405-77-1

安全与法规

GHS分类

GHS Classification · 4 条

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
tsca: No
存储类别: 11 - Combustible Solids
安全说明: 26-37
危险类别码: 36/37/38

化学与工业

试剂价格

H27420 · 500mg: 4,5-二(二-叔丁基膦)-9,9-二甲基氧杂蒽,99%4,5-Bis(di-tert-butylphosphino)-9,9-dimethylxanthene, 99% — 1446元
H27420 · 1g: 4,5-二(二-叔丁基膦)-9,9-二甲基氧杂蒽,99%4,5-Bis(di-tert-butylphosphino)-9,9-dimethylxanthene, 99% — 2387元