Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N,N-BIS(2-클로로에틸)-P-톨루엔술폰아미드
N,N-BIS(2-클로로에틸)-P-톨루엔술폰아미드 · N,N-BIS(2-CHLOROETHYL)-4-METHYLBENZENESULFONAMIDE · DK780 · NSC 49364 · LABOTEST-BB LT00455209 · N,N-Bis(2-chloroethyl) · Tolbutamide Impurity 13 · N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDE
식별자 및 물리적 특성
| CAS No. | 42137-88-2 |
|---|---|
| 분자식 | C11H15Cl2NO2S |
| 평균 분자량 | 296.2 g/mol |
| 단동위원소 질량 | 295.0200553 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 |
| InChIKey | PTVBBIMKLOMGSY-UHFFFAOYSA-N |
| PubChem CID | 96039 |
| EC No. | 255-677-7 |
| DTXSID | DTXSID20194970 |
| 현지명 | N,N-BIS(2-클로로에틸)-P-톨루엔술폰아미드 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 302 |
| 녹는점 | 43-50 °C |
| 끓는 점 | 409.1±55.0 °C(Predicted) |
| 밀도 | 1.2228 (rough estimate) |
| 굴절률 | 1.6000 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 클로로포름에 용해됨 |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | -8.48±0.70(Predicted) |
| 색상 | 흰색에서 밝은 노란색 |
| BRN | 2134258 |
| InChIKey | PTVBBIMKLOMGSY-UHFFFAOYSA-N |
화학적 성질
GREY TO GREY-BROWN POWDER
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.DangerH301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 45 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 45 reports by companies.There are 3 notifications provided by 44 of 45 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 | Acute Tox. 3 (84.4%)Skin Irrit. 2 (13.3%)Eye Irrit. 2 (13.3%) |
| 관세 코드 | 29350090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-23514 |
용도
용도
N,N-Bis(2-chloroethyl)-p-toluenesulfonaMide can be used as an intermediate used in the process for preparation of Cetirizine (C281100).