벤젠 아민, 2- 클로로 -6- 메틸 -
벤젠아민,2-클로로-6-메틸- · 6-CHLORO-O-TOLUIDINE · 6-CHLORO-2-METHYLANILINE · 6COT · NSC 60121 · oro-6-methyL · TIMTEC-BB SBB004153 · 6-chloro-o-toluidin
식별자 및 물리적 특성
| CAS No. | 87-63-8 |
|---|---|
| 분자식 | C7H8ClN |
| 평균 분자량 | 141.6 g/mol |
| 단동위원소 질량 | 141.03452694 g/mol |
| SMILES | Cc1cccc(Cl)c1N |
| InChIKey | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| PubChem CID | 6897 |
| EC No. | 201-759-2 |
| DTXSID | DTXSID8058956 |
| 현지명 | 벤젠 아민, 2- 클로로 -6- 메틸 - |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 94.9 |
| SpringerMaterials Properties | Optical coefficient |
| 녹는점 | 10-12 °C(lit.) |
| 끓는 점 | 215 °C(lit.) |
| 밀도 | 1.152 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.576(lit.) |
| 인화점 | 210 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 기름 |
| pKa(산도 계수) | 2.51±0.10(Predicted) |
| 색상 | 투명 무색~연한 보라색 |
| 용해도 | 섞일 수 없음 |
| BRN | 774624 |
| InChIKey | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| NIST | Benzenamine, 2-chloro-6-methyl-(87-63-8) |
| EPA | 6-Chloro-2-methylaniline (87-63-8) |
화학적 성질
clear yellow to red-brown liquid
안전 및 규제
| GHS 분류 | DangerH301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | S - indicates a substance that is identified in a final Significant New Use Rule.Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21012 |
| Hazard Classes and Categories | Acute Tox. 3 (16%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XU5100000 |
| 운송 번호(UN) | UN 3429 6.1/PG 3 |
| 관세 코드 | 29214300 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 6.1 |
용도
개요
2-chloro-6-methylaniline is an important organic synthesis intermediate widely applied to chemical pharmacy, pesticides, and organic synthesis. In the aspects of chemical pharmacy and pesticides, 2-chloro-6-methylaniline can be used as a reaction starting material to participate in the preparation processes of tyrosine kinase inhibitors dasatinib, indazole derivatives with anti-breast cancer activity, 2-methyl-6-chlorophenyl sulfonylurea derivatives with bacteriostatic activity and the like; in the aspect of organic synthesis, 2-chloro-6-methylaniline can introduce chemical groups such as hydrazine, nitro, cyano, halogen (F, Cl, Br), and the like into an aromatic ring through diazotization reaction, thereby participating in wide chemical reactions.
용도
2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.