Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
3-Methyl-1-Phenyl-2 · 3-methyl-1-phenyl-2-phospholen1-oxide · 3-Methyl-1-Phenyl-2-Phosphelene 1-Oxide · 1-Phenyl-3-methyl-4,5-dihydro-1H-phosphole 1-oxide · 4-METHYL-1-PHENYL-2,3-DIHYDRO-1H-1LAMBDA5-PHOSPHOL-1-ONE · NSC 107634 · -2-phosphoL · ene 1-Oxide
식별자 및 물리적 특성
| CAS No. | 707-61-9 |
|---|---|
| 분자식 | C11H13OP |
| 평균 분자량 | 192.19 g/mol |
| 단동위원소 질량 | 192.07040167 g/mol |
| SMILES | CC1=CP(=O)(c2ccccc2)CC1 |
| InChIKey | YMKWWHFRGALXLE-UHFFFAOYSA-N |
| PubChem CID | 69722 |
| ChEMBL | CHEMBL1256413 |
| EC No. | 211-901-5 |
| DTXSID | DTXSID0051497 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 261 |
| SpringerMaterials Properties | Chemical shift |
| Collision Cross Section | 141.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID0051497] |
| 녹는점 | 58-62 °C |
| 끓는 점 | 150 °C/0.15 mmHg (lit.) |
| 밀도 | 1.11±0.1 g/cm3(Predicted) |
| 굴절률 | n20/D 1.5707(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 극성 용매에 용해됩니다. |
| 물리적 상태 | 덩어리 |
| 색상 | 흰색에서 크림색으로 |
| BRN | 609223 |
| InChI | InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3 |
| InChIKey | YMKWWHFRGALXLE-UHFFFAOYSA-N |
| SMILES | P1(=O)(C2=CC=CC=C2)C=C(C)CC1 |
| EPA | 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide (707-61-9) |
화학적 성질
white to yellow adhering crystals
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.6% (1 of 165) of reports.WarningH302+H312+H332 (63%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SZ6105100 |
| 관세 코드 | 2931499090 |
| 위험 문구(R) | 20/21/22-36/37/38-40 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-28-36/37/39-45 |
| 위험 등급 | Acute Tox. 4 OralAquatic Chronic 3Carc. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-Methyl-1-phenyl-2-phospholene 1-oxide is used as a catalyst for intramolecular aza-wittig cyclization reactions and polymerization reactions. It is a reactant used for the preparation of phospha sugars and their radical bromination derivatives as anticancer agents.