基本情報
- CAS
98674-80-7- 標準SMILES
CC1(C)COP(=O)(O)O[C@@H]1c1ccccc1- InChIKey
PSZSDCWNBXVDFG-SNVBAGLBSA-N- 分子式
- C11H15O4P
- 平均分子量
- 242.21 g/mol
- 単同位体質量
- 242.07079559
名称と識別子
- 優先名称
- (4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan 2-oxide
- IUPAC
- (4R)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3,2λ5-dioxaphosphinane 2-oxide
- 英語名
- (2R,4R)-5,5-DIMETHYL-2-HYDROXY-4-PHENYL-1,3,2-DIOXAPHOSPHORINAN 2-OXIDE
- 分子式
- C11H15O4P
- 分子量
- 242.21
名称と別名
98674-80-7(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan 2-oxideDTXSID70431387RefChem:209123DTXCID20382219628-971-1(2R,4R)-5,5-Dimethyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphorinan 2-oxide(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphinane 2-oxide(4R)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide(+)-PhencyphosSCHEMBL3525309SCHEMBL17942169
名称をさらに表示
(2R,4R)-5,5-dimethyl-4-phenyl-N-tosyl-1,2,3-oxathiazolidine-2-oxide(2R,4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan 2-oxide(R)-(-)-2-HYDROXY-5,5-DIMETHYL-4-PHENYL-1,3,2-DIOXAPHOSPHORINANE 2-OXIDE(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan 2-oxide 98%(R)-(-)-5,5-DIMETHYL-2-HYDROXY 4-PHENYL-1,3,2-DIOXAPHOS-PHORINANE-2-OXIDE1,3,2-Dioxaphosphorinane, 2-hydroxy-5,5-dimethyl-4-phenyl-, 2-oxide, (4R)-
PSZSDCWNBXVDFG-SNVBAGLBSA-NAKOS015913461(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphinane2-oxide(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan 2-oxide, 98%(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2lambda~5~-dioxaphosphinan-2-one
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 55.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 296
物理化学的性質
- 融点
- 224 · 224-227 °C (lit.)
- 沸点
- 344.4 · 344.4±45.0 °C(Predicted)
- 比重(密度)
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 1.28 · 1.28±0.60(Predicted)
- BRN
- 4294714 · 4294714
- InChI
- 1S/C11H15O4P/c1-11(2)8-14-16(12,13)15-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13)/t10-/m1/s1
- InChIKey
- PSZSDCWNBXVDFG-SNVBAGLBSA-N
- SMILES
- CC1(C)COP(O)(=O)O[C@@H]1c2ccccc2
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- F
- 10-21
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用(4R)-2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan 2-oxide can be used:As a reactant in the phosphoalkoxylation of aromatic enones.As a chiral resolving agent in the resolution of amino acids, amines, and amino alcohols.
サプライヤー10 社
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
関連反応
4 件
化合物ノート
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