Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2-디클로로-1-메틸시클로프로판카르복실산
2,2-디클로로-1-메틸시클로프로판카르복실산 · LABOTEST-BB LT00452792 · 1-Methyl-2,2-dichlorocyclopropanecarboxylic acid · 2,2-Dichloro-1-methylcyclopropanecarboxylic acid · Cyclopropanecarboxylicacid, 2,2-dichloro-1-methyl- · 1-Methyl-2,2-dichlorocyclopropane-1-carboxylic acid · 2,2-dichloro-1-methyl-1-cyclopropanecarboxylic acid · 2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid 98%
식별자 및 물리적 특성
| CAS No. | 1447-14-9 |
|---|---|
| 분자식 | C5H6Cl2O2 |
| 평균 분자량 | 169 g/mol |
| 단동위원소 질량 | 167.9744848 g/mol |
| SMILES | CC1(C(=O)O)CC1(Cl)Cl |
| InChIKey | BIUUWIKPBYWKEQ-UHFFFAOYSA-N |
| PubChem CID | 102621 |
| EC No. | 215-901-6 |
| DTXSID | DTXSID30932385 |
| 현지명 | 2,2-디클로로-1-메틸시클로프로판카르복실산 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 166 |
| 녹는점 | 60-65 °C (lit.) |
| 끓는 점 | 85 °C/8 mmHg (lit.) |
| 밀도 | 1.3010 (estimate) |
| pKa(산도 계수) | 3.51±0.50(Predicted) |
| 물리적 상태 | solid |
| BRN | 1937304 |
| InChI | 1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9) |
| InChIKey | BIUUWIKPBYWKEQ-UHFFFAOYSA-N |
| SMILES | CC1(CC1(Cl)Cl)C(O)=O |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 40 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 1760 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid was used in solid phase synthesis of α-hydroxy esters, inhibitors of amyloid-β production.