Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-플루오로-2-메틸아닐린
4-플루오로-2-메틸아닐린 · 2-AMINO-5-FLUOROTOLUENE · 4-Fluoro-2-methylbenzenamine · 4-fluorotoluidine · 4-FLUORO-O-TOLUIDINE · 2-Fluoro-o-toluidine · 4-Fluoro-2-methylani · o-Toluidine, 4-fluoro-
식별자 및 물리적 특성
| CAS No. | 452-71-1 |
|---|---|
| 분자식 | C7H8FN |
| 평균 분자량 | 125.14 g/mol |
| 단동위원소 질량 | 125.06407742 g/mol |
| SMILES | Cc1cc(F)ccc1N |
| InChIKey | KMHLGVTVACLEJE-UHFFFAOYSA-N |
| PubChem CID | 67982 |
| EC No. | 207-208-2 |
| DTXSID | DTXSID6060008 |
| 현지명 | 4-플루오로-2-메틸아닐린 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 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 | 94 |
| 녹는점 | 14.2°C |
| 끓는 점 | 90-92 °C/16 mmHg (lit.) |
| 밀도 | 1.126 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.537(lit.) |
| 인화점 | 190 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| pKa(산도 계수) | 4.51±0.10(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | Light yellow to Yellow to Orange |
| 비중 | 1.126 |
| BRN | 1931798 |
| InChI | 1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | KMHLGVTVACLEJE-UHFFFAOYSA-N |
| SMILES | Cc1cc(F)ccc1N |
| NIST | Benzenamine, 4-fluoro-2-methyl-(452-71-1) |
| EPA | 4-Fluoro-2-methylaniline (452-71-1) |
화학적 성질
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안전 및 규제
| GHS 분류 | DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (89.8%): 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 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (10.2%): 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+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 49 reports by companies from 8 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 (98%)Acute Tox. 3 (10.2%)Acute Tox. 4 (89.8%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (89.8%)STOT RE 2 (10.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CY0500000 |
| 운송 번호(UN) | 2810 |
| 관세 코드 | 29214300 |
| 위험 문구(R) | 20/21/22-36/37/38-23/24/25 |
| 위험 표시 | Xn,T,Xi |
| 안전 문구(S) | 26-36/37/39-45-36 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Toxic/Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.