基本情報
- 標準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
- 単同位体質量
- 466.30006761
名称と識別子
- 優先名称
- 2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
- IUPAC
- dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
- 現地名
- 2-ジシクロヘキシルホスフィノ-2',6'-ジイソプロポキシビフェニル
- 英語名
- 2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
- 分子式
- C30H43O2P
- 分子量
- 466.64
名称と別名
名称をさらに表示
データベース識別子
- CAS
787618-22-8- PubChem CID
- 16217985
- DTXSID
DTXSID10584700- UNII
- X3474RY19E
- EC Number
- 616-653-5
- Nikkaji
- J2.226.608J
物性
構造計算による物性
- XLogP
- 8.3
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 515
物理化学的性質
- 融点
- 123 · 123-124°C
- 沸点
- 551.7 · 551.7±40.0 °C(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- クロロホルム(微量)、DMSO(微量)、メタノール(微量)
- 外見
- 粉
- 色
- 白い
- 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
安全と法規制
GHS分類
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.
危険有害性情報
安全データ
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- ストレージクラス
- 13 - Non Combustible Solids
化学と産業
応用分野
用途医薬中間体、触媒.配位子。
使用suzuki reaction
上流・下流製品情報
上流原料
下流製品
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