基本信息
- 标准SMILES
CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1- InChIKey
MXFYYFVVIIWKFE-UHFFFAOYSA-N- 分子式
- C30H43O2P
- 平均分子量
- 466.6 g/mol
- 单同位素质量
- 466.30006761
名称与标识
- 首选名称
- 2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
- IUPAC
- dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
- 中文名
- 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯
- 英文名
- 2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
- 分子式
- C30H43O2P
- 分子量
- 466.64
名称与别名
展开更多名称
数据库标识
- CAS
787618-22-8- PubChem CID
- 16217985
- DTXSID
DTXSID10584700- UNII
- X3474RY19E
- EC Number
- 616-653-5
- Nikkaji
- J2.226.608J
性质
结构计算性质
- XLogP
- 8.3
- 极性表面积
- 18.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 8
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 515
物理化学性质
- 熔点
- 123 · 123-124°C
- 沸点
- 551.7 · 551.7±40.0 °C(Predicted)
- 储存条件
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解度
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- 形态
- Powder
- 颜色
- white
- 敏感性
- Air Sensitive
- InChI
- InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3
- InChIKey
- MXFYYFVVIIWKFE-UHFFFAOYSA-N
- SMILES
- P(C1=CC=CC=C1C1=C(OC(C)C)C=CC=C1OC(C)C)(C1CCCCC1)C1CCCCC1
安全与法规
GHS分类
GHS Classification
Warning
H302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (90.6%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (90.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (86.8%): 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 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
- 26-36/37/39
- 海关编码
- 29310099
- 危险品标志
- Xn
- 危险类别码
- 36/37/38-20/21/22
化学与工业
应用领域
简介2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯为烃类衍生物,可用作有机膦配体。
用途大位阻膦配体,可用于氨基乙基三氟硼酸酯与缺电子芳基溴的钯催化交叉偶联反应。
上下游产品信息
上游原料
下游产品
试剂价格
- HY-W007432 · 5 g
- 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯RuPhos — 100元
- HY-W007432 · 10 g
- 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯RuPhos — 160元
供应商50 家
相关反应
关联笔记
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