2-클로로벤자마이드
2-클로로벤자마이드 · 2-Chlorbenzamid · o-chloro-benzamid · 2-CHLOROBENZAMIDE · 2-chloro-benzamid · O-CHLORO-BENZAMIDE · Benzamide, o-chloro · TIMTEC-BB SBB004023
식별자 및 물리적 특성
| CAS No. | 609-66-5 |
|---|---|
| 분자식 | C7H6ClNO |
| 평균 분자량 | 155.58 g/mol |
| 단동위원소 질량 | 155.01379149 g/mol |
| SMILES | NC(=O)c1ccccc1Cl |
| InChIKey | RBGDLYUEXLWQBZ-UHFFFAOYSA-N |
| PubChem CID | 69111 |
| ChEMBL | CHEMBL3561242 |
| EC No. | 210-195-6 |
| DTXSID | DTXSID3052278 |
| 현지명 | 2-클로로벤자마이드 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 43.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 138 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 농약 | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP(분배 계수) | 0.94 |
| 녹는점 | 142-144 °C(lit.) |
| 끓는 점 | 275.0±23.0 °C(Predicted) |
| 밀도 | 1.2187 (rough estimate) |
| 굴절률 | 1.5618 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 15.36±0.50(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| BRN | 508510 |
| InChI | 1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | RBGDLYUEXLWQBZ-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccccc1Cl |
| EPA | 2-Chlorobenzamide (609-66-5) |
화학적 성질
The substance is an almost white crystalline powder that can be dissolved in solvents such as benzene and toluene.
안전 및 규제
| GHS 분류 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P320, 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzamide, 2-chloro-Commission Regulation No 844/2012PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 03-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6240 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CV2443737 |
| 관세 코드 | 2924297099 |
| 위험 문구(R) | 22-36/37/38-20/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36-37/39-26 |
| 위험 등급 | IRRITANTAcute Tox. 4 Oral |
| 저장 분류 | 13 - Non Combustible Solids |
용도
용도
2-Chlorobenzamide is used to synthesize chlortetracycline and o-chlorobenzoyl isocyanate, which is an intermediate in chlortetracycline synthesis.
일반 설명
2-Chlorobenzamide is the major degradation product of CCU (1-(2-chlorobenzoyl)-3-(4-chlorophenyl) urea), a new insect growth regulator. It undergoes room temperature Pd-mediated hydrodehalogenations with KF and polymethylhydrosiloxane (PMHS) to yield benzamide. t undergoes reduction with NaBH4 in diglyme at 162°C to yield 2-chlorobenzonitrile.