안트라센 -9- 카르 브 알데히드
안트라센-9-카르브알데히드 · 9-안스알데히드 · anthracene-9-carbaldehyde · 9-ANTHRACENECARBOXALDEHYDE · anthraldehyde · 9-Anthrylaldehyde · 9-Anthrylcarboxaldehyde · 9-Formylanthracene
식별자 및 물리적 특성
| CAS No. | 642-31-9 |
|---|---|
| 분자식 | C15H10O |
| 평균 분자량 | 206.24 g/mol |
| 단동위원소 질량 | 206.07316494 g/mol |
| SMILES | O=Cc1c2ccccc2cc2ccccc12 |
| InChIKey | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| PubChem CID | 69504 |
| ChEMBL | CHEMBL4447118 |
| EC No. | 211-383-0 |
| DTXSID | DTXSID9060940 |
| 현지명 | 안트라센 -9- 카르 브 알데히드 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 238 |
| Physical Description | Gold colored powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 2094368.3357.3356.6 |
| 녹는점 | 103-105 °C (lit.) |
| 끓는 점 | 305.09°C (rough estimate) |
| 밀도 | 1.0701 (rough estimate) |
| 굴절률 | 1.6324 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 톨루엔에 용해됩니다. |
| 물리적 상태 | 결정질 분말 또는 바늘 |
| 색상 | 노란색 |
| BRN | 639167 |
| 안정성 | 안정적인. 강염기, 강산화제와 호환되지 않습니다. |
| InChI | 1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H |
| InChIKey | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1c2ccccc2cc3ccccc13 |
| NIST | 9-Anthracenecarboxaldehyde(642-31-9) |
| EPA | 9-Anthracenecarboxaldehyde (642-31-9) |
화학적 성질
yellow powder
안전 및 규제
| GHS 분류 | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, 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 7 reports by companies from 3 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. |
|---|---|
| 규제 정보 | Chemical: 9-AnthracenecarboxaldehydeStatus: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/188579-Anthracenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 4 (28.6%)Skin Irrit. 2 (71.4%)Eye Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29122900 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 |
용도
용도
9-Anthraldehyde is used to prepare asymmetrical tridentate Schiff base ligands, 2-(9-anthrylmethyl-ideneamino)-4-methyl-phenol and functionalized ligand like 2-(anthracen-9-ylidene)-4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione through Knoevenangel condensation with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione. It is also used as an intermediate for dyes, pigment, active pharmaceutical ingredients and other organic compounds. Further, it is involved in the Diels Alder reaction with benzenediazonium-2-carboxylate.
일반 설명
The Diels-Alder reaction of 9-anthracenecarboxaldehyde with benzenediazonium-2-carboxylate was studied.