Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-클로로-2-메톡시아닐린
4-클로로-2-메톡시아닐린 · 4-클로로-2-아니시딘염산염 · 4-Chloro-2-methoxyaniline · 4-CHLORO-O-ANISIDINE · p-Chloro-o-anisidine · 2-Amino-5-chloroanisole · 2-Methoxy-4-chloroaniline · 4-Chloro-o-anisidine (NH2=1)
식별자 및 물리적 특성
| CAS No. | 93-50-5 |
|---|---|
| 분자식 | C7H8ClNO |
| 평균 분자량 | 157.6 g/mol |
| 단동위원소 질량 | 157.0294416 g/mol |
| SMILES | COc1cc(Cl)ccc1N |
| InChIKey | WOXLPNAOCCIZGP-UHFFFAOYSA-N |
| PubChem CID | 7143 |
| EC No. | 202-251-3 |
| DTXSID | DTXSID5059088 |
| 현지명 | 4-클로로-2-메톡시아닐린 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 35.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 110 |
| 녹는점 | 52°C |
| 끓는 점 | 260°C (rough estimate) |
| 밀도 | 1.1760 (rough estimate) |
| 굴절률 | 1.5430 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 3.90±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 어두운 갈색 |
| EPA | Benzenamine, 4-chloro-2-methoxy- (93-50-5) |
화학적 성질
Dark Brown Low Melting Solid
안전 및 규제
| GHS 분류 | WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 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.Not Classified |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (75%)Skin Sens. 1 (25%)Eye Irrit. 2A (75%)STOT SE 3 (75%)Aquatic Chronic 2 (25%) |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2921420090 |
| 위험 문구(R) | 43 |
| 위험 표시 | Xi |
| 안전 문구(S) | 36/37 |
| 위험 참고 사항 | Irritant/Keep Cold |
용도
용도
4-Chloro-2-methoxyaniline is an important intermediate used for the synthesis of CXCR2 antagonists and some CD4-gp120 binding inhibitors.