Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,5-디메틸리속사졸-4-카르보닐클로라이드
3,5-디메틸리속사졸-4-카르보닐클로라이드 · BUTTPARK 27\08-44 · TIMTEC-BB SBB005465 · 3,5-Dimethylisoxazole-4-carbonyl c · 3,5-Dimethylisoxazole-4-carbonylhloride · 5-Dimethylisoxazole-4-carbonyl chloride · diMethyl-1,2-oxazole-4-carbonyl chloride · 3,5-Dimethylisoxazole-4-carbnyl chloride
식별자 및 물리적 특성
| CAS No. | 31301-45-8 |
|---|---|
| 분자식 | C6H6ClNO2 |
| 평균 분자량 | 159.57 g/mol |
| 단동위원소 질량 | 159.0087061 g/mol |
| SMILES | Cc1noc(C)c1C(=O)Cl |
| InChIKey | MPYGFFPGJMGVSW-UHFFFAOYSA-N |
| PubChem CID | 2736265 |
| EC No. | 673-076-1 |
| DTXSID | DTXSID00371242 |
| 현지명 | 3,5-디메틸리속사졸-4-카르보닐클로라이드 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 43.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 151 |
| 끓는 점 | 90°C 15mm |
| 밀도 | 1.282±0.06 g/cm3(Predicted) |
| 굴절률 | 1.4960 to 1.5000 |
| pKa(산도 계수) | -2.98±0.28(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | Colorless to Light orange to Yellow |
| 용해도 | 물과 반응합니다. |
화학적 성질
Colorless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 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 | Met. Corr. 1 (12.5%)Skin Corr. 1B (100%)Eye Dam. 1 (12.5%)STOT SE 3 (25%) |
| 운송 번호(UN) | 3265 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 34-36 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-36/37/39-26/36/37/39/45/60-20-45-25 |
| 포장분류 | II |
| 위험 등급 | 8 |
| 위험 참고 사항 | Irritant |