기본 정보
- CAS
98674-80-7- 표준 SMILES
CC1(C)COP(=O)(O)O[C@@H]1c1ccccc1- InChIKey
PSZSDCWNBXVDFG-SNVBAGLBSA-N- 분자식
- C11H15O4P
- 평균 분자량
- 242.21 g/mol
- 단동위원소 질량
- 242.07079559
이름 및 식별자
- 우선 이름
- (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
- 영어명
- (2R,4R)-5,5-DIMETHYL-2-HYDROXY-4-PHENYL-1,3,2-DIOXAPHOSPHORINAN 2-OXIDE
- 분자식
- C11H15O4P
- 분자량
- 242.21
이름 및 동의어
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
이름 더 보기
(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
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 296
물리화학적 성질
- 녹는점
- 224 · 224-227 °C (lit.)
- 끓는 점
- 344.4 · 344.4±45.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(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.
공급사10 곳
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]
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