4-Iodoaniline
BENZENAMINE, 4-IODO- · P-IODOANILINE · 4-iodobenzenamine · 1-amino-4-iodobenzene · 4-IodoaniL · 4-LODANILINE · 4-iodo-anilin · 4-IODOANILINE
식별자 및 물리적 특성
| CAS No. | 540-37-4 |
|---|---|
| 분자식 | C6H6IN |
| 평균 분자량 | 219.02 g/mol |
| 단동위원소 질량 | 218.95449719 g/mol |
| SMILES | Nc1ccc(I)cc1 |
| InChIKey | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| PubChem CID | 10893 |
| ChEMBL | CHEMBL41790 |
| EC No. | 208-743-4 |
| DTXSID | DTXSID9060239 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 66.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 2.34 |
| 증기압 | 0.00767 [mmHg] |
| Physical Description | White solid[Merck Index] Light brown crystalline powder[Alfa Aesar MSDS] |
| 녹는점 | 61-63 °C(lit.) |
| 끓는 점 | 268.7±23.0 °C(Predicted) |
| 밀도 | 1.8155 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | H2O: 약간 용해됨 |
| 물리적 상태 | 결정질 분말 또는 바늘 |
| pKa(산도 계수) | 3.81(at 25℃) |
| 색상 | 베이지~회갈색 |
| 용해도 | 물에 약간 용해됩니다. 클로로포름, 메탄올에 용해됩니다. |
| Merck | 14,5027 |
| BRN | 774101 |
| InChI | 1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
| InChIKey | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| SMILES | Nc1ccc(I)cc1 |
| NIST | Benzenamine, 4-iodo-(540-37-4) |
| EPA | Benzenamine, 4-iodo- (540-37-4) |
화학적 성질
beige to greyish-brown crystalline powder. soluble in alcohol, ether and chloroform, slightly soluble in water.
안전 및 규제
| GHS 분류 | WarningH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]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 63 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 4-iodo-4-Iodoaniline: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes degenerative spinal cord changes, structural changes in peripheral nerve or sheath, dyspnea, cyanosis, and weight loss in acute oral studies of rats[RTECS] A skin and strong eye irritantMay induce methemoglobinemiaHarmful by inhalationToxic by ingestion and skin absorption[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (98.4%) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BY3850000 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29214210 |
| 위험 문구(R) | 22-36/37/38-20/21/22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36/37/39-36 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 |
용도
용도
4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxica nt in vitro than other anilines.
일반 설명
4-Iodoaniline is the most potent methaemoglobin former.
제조 및 합성 방법
제조 방법
4-Iodoaniline is obtained by the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water and slowly add crushed iodine in stages with vigorous stirring. If the reaction solution is yellow, add a little sodium bisulfite to make it discolor, then filter and get the crude product. Then the product is recrystallized by ethanol to obtain 4-Iodoaniline.