Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,5-디메틸-4-요오도피라졸
3,5-디메틸-4-요오도피라졸 · SALOR-INT L119644-1EA · LABOTEST-BB LT01148501 · 4-IODO-3,5-DIMETHYLPYRAZOLE · 3,5-DIMETHYL-4-IODOPYRAZOLE · 3,5-dimethyl-4-iodo-pyrazol · 3.5-Dimethyl-4-lodo pyrazole · Pyrazole, 3,5-dimethyl-4-iodo-
식별자 및 물리적 특성
| CAS No. | 2033-45-6 |
|---|---|
| 분자식 | C5H7IN2 |
| 평균 분자량 | 222.03 g/mol |
| 단동위원소 질량 | 221.9654 g/mol |
| SMILES | Cc1n[nH]c(C)c1I |
| InChIKey | MZZXIXHKDJNBJQ-UHFFFAOYSA-N |
| PubChem CID | 97115 |
| ChEMBL | CHEMBL5192672 |
| EC No. | 622-388-6 |
| DTXSID | DTXSID30174228 |
| 현지명 | 3,5-디메틸-4-요오도피라졸 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 28.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 86 |
| 녹는점 | 136-140 °C |
| 끓는 점 | 297.3±35.0 °C(Predicted) |
| 밀도 | 1.920±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 14.11±0.50(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| InChI | 1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8) |
| InChIKey | MZZXIXHKDJNBJQ-UHFFFAOYSA-N |
| SMILES | Cc1n[nH]c(C)c1I |
화학적 성질
white crystalline chunks
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).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 (97.6%)Eye Dam. 1 (95.1%)STOT SE 3 (95.1%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UQ6517000 |
| 독성 | mouse,LD50,intraperitoneal,550mg/kg (550mg/kg),Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962. |
| 관세 코드 | 29331990 |
| 위험 문구(R) | 37/38-41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-39-26 |
| 위험 등급 | IRRITANTEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |