Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4-디클로로벤질이소시아네이트
2,4-디클로로벤질이소시아네이트 · 2,4-DICHLOROBENZYL ISOCYANATE · 2,4-Dichlorobenzyl isocyanate 98% · 2,4-dichloro-1-(isocyanatomethyl)benzene · Benzene, 2,4-dichloro-1-(isocyanatomethyl)-
식별자 및 물리적 특성
| CAS No. | 19654-32-1 |
|---|---|
| 분자식 | C8H5Cl2NO |
| 평균 분자량 | 202.03 g/mol |
| 단동위원소 질량 | 200.9748192 g/mol |
| SMILES | O=C=NCc1ccc(Cl)cc1Cl |
| InChIKey | FUIUATRKBRZCQD-UHFFFAOYSA-N |
| PubChem CID | 4612708 |
| EC No. | 625-504-3 |
| DTXSID | DTXSID50404877 |
| 현지명 | 2,4-디클로로벤질이소시아네이트 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 29.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 191 |
| 끓는 점 | 273 °C (lit.) |
| 밀도 | 1.388 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.565(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 노란색, 연한 갈색까지 |
| InChI | 1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2 |
| InChIKey | FUIUATRKBRZCQD-UHFFFAOYSA-N |
| SMILES | Clc1ccc(CN=C=O)c(Cl)c1 |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2206 6.1/PG 3 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
2,4-Dichlorobenzyl isocyanate may be used in the preparation of N-(2,5-dichlorobenzyl)-1-(4-methoxybenzyl)-4,5-dihydro-1H-imidazol-2-amine.
일반 설명
2,4-Dichlorobenzyl isocyanate, also known as 2,4-dichloro-1-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.