Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Bromoaniline
O-BROMOANILINE · 2-Bromoanilines · 2-bromobenzenamine · 1-Amino-2-bromobenzene · 2-BromoaniL · 2-BROMOANILINE · BROMOANILINE(2-) · Aniline, o-bromo-
식별자 및 물리적 특성
| CAS No. | 615-36-1 |
|---|---|
| 분자식 | C6H6BrN |
| 평균 분자량 | 172.02 g/mol |
| 단동위원소 질량 | 170.96836129 g/mol |
| SMILES | Nc1ccccc1Br |
| InChIKey | AOPBDRUWRLBSDB-UHFFFAOYSA-N |
| PubChem CID | 11992 |
| EC No. | 210-421-3 |
| DTXSID | DTXSID5060645 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 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 | 74.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 증기압 | 0.04 [mmHg] |
| Physical Description | Brown solidmp = 27-32 deg C[Alfa Aesar MSDS] |
| 녹는점 | 24-28 °C (lit.) |
| 끓는 점 | 229 °C (lit.) |
| 밀도 | 1.52 g/mL at 25 °C (lit.) |
| 굴절률 | 1.617-1.619 |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 0.949g/L |
| 물리적 상태 | 녹은 후에 액체 |
| pKa(산도 계수) | 2.53(at 25℃) |
| 색상 | 투명한 노란색에서 적갈색까지 |
| 용해도 | 물에 불용성. |
| BRN | 742062 |
| InChI | 1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 |
| InChIKey | AOPBDRUWRLBSDB-UHFFFAOYSA-N |
| SMILES | Nc1ccccc1Br |
| NIST | Benzenamine, 2-bromo-(615-36-1) |
| EPA | Benzenamine, 2-bromo- (615-36-1) |
화학적 성질
CLEAR YELLOW TO RED-BROWN LIQUID AFTER MELTING
안전 및 규제
| GHS 분류 | DangerH302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P319, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 2-bromo-Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/233612-Bromoaniline: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritantMay induce methemoglobinemiaHarmful by ingestion and inhalationToxic by skin absorptionProlonged or repeated exposure may cause organ injury[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (96.2%) |
| 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 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 관세 코드 | 29214210 |
| 위험 문구(R) | 23/24/25-33-52/53-36/37/38-20/21/22-24/25 |
| 위험 표시 | T,Xn |
| 안전 문구(S) | 36/37-45-61-36/37/39-26 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 |
| F 고인화성물질 | 8-23 |
용도
용도
2-Bromoaniline is used as a corrosion inhibitor, emulsifying and antiseptic agents. It is used in the rubber industry, e.g. diphenylguanidines, phenylenediamines mercaptobenzothiazoles, aniline ketones and etc.