Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
클로로메타크실렌
알파-클로로-메타-자일렌 · 클로로메타크실렌 · MBC · 1-Chloromethyl-3-methylbenzene · M-XYLYL CHLORIDE · α-chloro-m-xylene · 3-MBC · -Chloro-m-xylene
식별자 및 물리적 특성
| CAS No. | 620-19-9 |
|---|---|
| 분자식 | C8H9Cl |
| 평균 분자량 | 140.61 g/mol |
| 단동위원소 질량 | 140.03927797 g/mol |
| SMILES | Cc1cccc(CCl)c1 |
| InChIKey | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
| PubChem CID | 12102 |
| EC No. | 210-628-9 |
| DTXSID | DTXSID60211034 |
| 현지명 | 클로로메타크실렌 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 80.6 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Liquid |
| 녹는점 | -41.95°C (estimate) |
| 끓는 점 | 195-196 °C(lit.) |
| 밀도 | 1.064 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.535(lit.) |
| 인화점 | 168 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| 용해도 | 불용성 |
| Merck | 14,10091 |
| BRN | 2040357 |
| InChI | InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3 |
| InChIKey | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC=CC(C)=C1 |
| NIST | Benzene, 1-(chloromethyl)-3-methyl-(620-19-9) |
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
| GHS 분류 | DangerH302 (36.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzene, 1-(chloromethyl)-3-methyl-Benzene, 1-(chloromethyl)-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(chloromethyl)-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.3-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (36.5%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29036990 |
| 위험 문구(R) | 34-36/37-36/37/38 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 23-26-27-36/37/39-45-37/39 |
| 포장분류 | III |
| 위험 등급 | 8Skin Corr. 1BSTOT SE 3 |
| 위험 참고 사항 | Irritant/Corrosive |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
3-Methylbenzyl chloride is used as an organic light-emitting diode and as an intermediate in organic synthesis.