Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Chloro-4-fluoroaniline
3-CHLORO-4-FLUORO-PHENYLAMINE · 3-CHLORO-4-FLUOROBENZENAMINE · Fluorochloroaniline · NSC 10290 · 3-Chloro-4-flu · AKOS BBS-00003577 · Chloro-4-fluoroanil · 3-Chloro-4-fluoroani
식별자 및 물리적 특성
| CAS No. | 367-21-5 |
|---|---|
| 분자식 | C6H5ClFN |
| 평균 분자량 | 145.56 g/mol |
| 단동위원소 질량 | 145.009455 g/mol |
| SMILES | Nc1ccc(F)c(Cl)c1 |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
| PubChem CID | 9708 |
| EC No. | 206-682-8 |
| DTXSID | DTXSID0038754 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 99 |
| 녹는점 | 42-44 °C (lit.) |
| 끓는 점 | 227-228 °C (lit.) |
| 밀도 | 1,226 g/cm3 |
| 증기압 | 0.01 hPa (20 °C) |
| 굴절률 | 1,54-1,542 |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 10g/L |
| pKa(산도 계수) | 3.60±0.10(Predicted) |
| 물리적 상태 | 결정질 고체 |
| 색상 | 베이지에서 브라운까지 |
| pH | 7 (10g/l, H2O, 20℃) |
| 용해도 | 10g/L(20℃) |
| BRN | 1562786 |
| 안정성 | 안정적인. 강산화제, 산, 산 염화물, 산 무수물, 클로로포르메이트와 호환되지 않습니다. 공기에 민감할 수 있습니다. |
| InChI | 1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | YSEMCVGMNUUNRK-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)c(Cl)c1 |
| EPA | 3-Chloro-4-fluoroaniline (367-21-5) |
화학적 성질
dark purple to black solid
안전 및 규제
| GHS 분류 | DangerH301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (43%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (60.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]H318 (36.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (55.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H373 (60.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 10 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. |
|---|---|
| 규제 정보 | Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/246333-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (55.7%)Acute Tox. 4 (43%)Acute Tox. 3 (60.8%)Eye Dam. 1 (36.7%)STOT RE 2 (60.8%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2811 6.1/PG 2 |
| 독성 | LD50 orally in Rabbit: 506 mg/kg |
| 관세 코드 | 29214210 |
| 위험 문구(R) | 23/24/25-33-36/37/38-20/21/22 |
| 위험 표시 | T,Xi,Xn |
| 안전 문구(S) | 36/37/39-45-26 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2 |
| 기존화학 물질 | KE-05685 |
| F 고인화성물질 | 9-23 |
| 위험 참고 사항 | Irritant/Toxic |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
일반 설명
The exposure of workers to 3-chloro-4-fluoroaniline (CFA) was monitored by an HPLC method.