Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N,N-Diphenylcarbamic chloride
DIPHENYLCARBAMOYL CHLORIDE · Diphenylcarbamic chloride · N,N-Diphenylcarbamoyl chloride · N,N-DIPHENYLCARBAMYL CHLORIDE · βk-MMDMA · TIMTEC-BB SBB000709 · 5-Methoxy-Methylone · Diphenylcarbamyl chl
식별자 및 물리적 특성
| CAS No. | 83-01-2 |
|---|---|
| 분자식 | C13H10ClNO |
| 평균 분자량 | 231.68 g/mol |
| 단동위원소 질량 | 231.04509162 g/mol |
| SMILES | O=C(Cl)N(c1ccccc1)c1ccccc1 |
| InChIKey | XNBKKRFABABBPM-UHFFFAOYSA-N |
| PubChem CID | 65741 |
| EC No. | 201-450-2 |
| DTXSID | DTXSID2058885 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 20.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 214 |
| 물질 분류 | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | White solid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
| 녹는점 | 83-85 °C |
| 끓는 점 | 207°C (rough estimate) |
| 밀도 | 1.1781 (rough estimate) |
| 굴절률 | 1.6330 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 에 용해됨유기용매 |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | -4.13±0.50(Predicted) |
| 색상 | 베이지~회녹색 |
| 용해도 | 물과 반응 |
| BRN | 515312 |
| InChI | 1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
| InChIKey | XNBKKRFABABBPM-UHFFFAOYSA-N |
| SMILES | ClC(=O)N(c1ccccc1)c2ccccc2 |
| NIST | Diphenylcarbamoyl chloride(83-01-2) |
| EPA | Carbamic chloride, diphenyl- (83-01-2) |
화학적 성질
beige to grey-green crystalline powder
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 04-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20837Diphenylcarbamyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes kidney and bladder changes in oral lethal-dose studies of rats[RTECS] CorrosiveMay cause skin sensitization[Merck Index] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Dimethyl carbamoyl chloride. Search for (83-01-2[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results[PubMed] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | EY5065000 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29242995 |
| 위험 문구(R) | 34-43-29 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-28A |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1BSkin Sens. 1 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
N,N-Diphenylcarbamyl Chloride (Temozolomide USP Related Compound C) is used in the production of a high performance polyamide used as an electrical switch for memory devices. Also used in the synthesis of modified oligoribonucleotides base pairs.