Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 640368생성일: 2026년 10월 26일
2-Ethynylbenzaldehyde
2-Ethynylbenzaldehyde · 2-ETHYLNYLBENZALDEHYDE · 2-Formylphenylacetylene · Benzaldehyde, 2-ethynyl- · 2-Ethynylbenzaldehyde97% · 2-Ethynylbenzaldehyde 97% · 2-ETHYLNYLBENZALDEHYDE, 97% · Benzaldehyde, 2-ethynyl- (9CI)
https://huagongshe.com/ko/chemical/640368
식별자 및 물리적 특성
| CAS No. | 38846-64-9 |
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| 분자식 | C9H6O |
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| 평균 분자량 | 130.14 g/mol |
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| 단동위원소 질량 | 130.04186481 g/mol |
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| SMILES | C#Cc1ccccc1C=O |
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| InChIKey | ZEDSAJWVTKUHHK-UHFFFAOYSA-N |
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| PubChem CID | 640368 |
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| ChEMBL | CHEMBL232450 |
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| EC No. | 627-720-3 |
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| DTXSID | DTXSID90348726 |
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화학 및 물리적 성질
| XLogP | 2 |
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| 극성 표면적 | 17.1 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 10 |
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| 형식 전하 | 0 |
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| 복잡도 | 163 |
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| 녹는점 | 64-67 °C (lit.) |
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| 끓는 점 | 115 °C(Press: 12 Torr) |
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| 밀도 | 1.07±0.1 g/cm3(Predicted) |
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| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
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| 물리적 상태 | 고체 |
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| 색상 | 밝은 노란색에서 밝은 갈색까지 |
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| InChI | 1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H |
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| InChIKey | ZEDSAJWVTKUHHK-UHFFFAOYSA-N |
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| SMILES | [H]C(=O)c1ccccc1C#C |
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안전 및 규제
| GHS 분류 | WarningH315 (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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| 수질 위해 등급(WGK) | 3 |
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| 관세 코드 | 2912290090 |
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| 위험 문구(R) | 36/37/38 |
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| 위험 표시 | Xi,F |
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| 안전 문구(S) | 26-36 |
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| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| 저장 분류 | 11 - Combustible Solids |
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용도
용도
2-Ethynylbenzaldehyde may be used in the synthesis of the following:iodoisoquinoline-fused benzimidazoles obtained via tandem iodocyclization of 2-ethynylbenzaldehyde with o-benzenediamine and iodine in the presence of copper(I)iodideN-[(7,7a-dihydroisoquinolino[2,1-a]perimidin-13-yl)methyl]-N-isopropylpropan-2-amine obtained via a multi-step processIt may also be used in the synthesis of the following substituted 2-alkynylbenzaldehydes by Sonogashira coupling:2-[(2-bromophenyl)ethynyl]benzaldehyde2-[(2-bromo-5-fluorophenyl)ethynyl]benzaldehyde2-[(2-bromo-5-methylphenyl)ethynyl]benzaldehyde2-(phenylethynyl)benzaldehyde2-[(4-methylphenyl)ethynyl]benzaldehyde
