基本信息
- 标准SMILES
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1- InChIKey
UGOMMVLRQDMAQQ-UHFFFAOYSA-N- 分子式
- C33H49P
- 平均分子量
- 476.7 g/mol
- 单同位素质量
- 476.35718856
名称与标识
- 首选名称
- 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
- IUPAC
- dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
- 中文名
- 2-二环己基膦-2',4',6'-三异丙基联苯
- 英文名
- X-PHOS
- 分子式
- C33H49P
- 分子量
- 476.72
名称与别名
展开更多名称
数据库标识
- CAS
564483-18-7- PubChem CID
- 11155794
- DTXSID
DTXSID50457126- UNII
- R271FU23T8
- EC Number
- 611-387-6
- Nikkaji
- J1.911.682D、J3.650.095F
性质
结构计算性质
- XLogP
- 10.1
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 7
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 545
物理化学性质
- 熔点
- 187 · 187-190 °C(lit.)
- 沸点
- 569.8 · 569.8±50.0 °C(Predicted)
- 储存条件
- Inert atmosphere,Room Temperature
- 溶解度
- Benzene (Slightly)
- 形态
- Powder
- 颜色
- white
- 敏感性
- Air Sensitive
- 稳定性
- Air Sensitive
- InChI
- 1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3
- InChIKey
- UGOMMVLRQDMAQQ-UHFFFAOYSA-N
- SMILES
- P(C1CCCCC1)(C1CCCCC1)C1=CC=CC=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C
- CAS 数据库
- 564483 · 564483-18-7(CAS DataBase Reference)
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 35.2% (38 of 108) of reports.
Warning
H302+H312+H332 (21.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (26.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (21.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (59.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (59.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (21.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (58.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (25.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 38 of 108 reports by companies.;There are 13 notifications provided by 70 of 108 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危害信息
安全数据
- wgk
- 3
- tsca
- No
- 存储类别
- 13 - Non Combustible Solids
- 安全说明
- 37/39-26-36/37
- 海关编码
- 29319090
- 危险品标志
- Xn
- 危险类别码
- 36/37/38-22-40
化学与工业
应用领域
简介2-二环己基膦-2',4',6'-三异丙基联苯是一种单膦配体,它可与多种过渡金属发生配位,在化学合成领域中常用于钯催化Suzuki偶联反应,迈克尔加成反应等,在基础化学研究领域中有广泛的应用。
用途2-二环己基膦-2',4',6'-三异丙基联苯(XPHOS)用作合成新型[1,2,4]三唑并[4,3-a]吡嗪衍生物的再生剂,作为潜在的选择性c-met抑制剂,具有更好的药代动力学特性。
用途偶联反应中,催化体系中配体成份
用途用作钯催化Suzuki偶联反应的配体,生成文朵灵的C-15类似物;用于钯催化2-卤代苯胺直接环化生成吲哚和色氨酸;区域规则性聚噻吩的合成。用于深入研究芳烃磺酸酯、芳基卤的钯催化胺化和酰胺化反应的配体
上下游产品信息
上游原料
下游产品
试剂价格
- D5038 · 1g
- 2-二环己基膦-2',4',6'-三异丙基联苯2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl — 640元
- D5038 · 5g
- 2-二环己基膦-2',4',6'-三异丙基联苯2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl — 1990元
供应商50 家
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