Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-브로모나프탈렌
2-브로모나프탈렌 · 나프탈렌, 2-브로모- · 베타-나프틸 브로마이드 · 베타-브로모나프탈렌 · 브롬화 2-나프틸 · 2-Bromonapthaline · 2-BROMONAPHTALENE · 2-bromo-naphthalen
식별자 및 물리적 특성
| CAS No. | 580-13-2 |
|---|---|
| 분자식 | C10H7Br |
| 평균 분자량 | 207.07 g/mol |
| 단동위원소 질량 | 205.97311232 g/mol |
| SMILES | Brc1ccc2ccccc2c1 |
| InChIKey | APSMUYYLXZULMS-UHFFFAOYSA-N |
| PubChem CID | 11372 |
| ChEMBL | CHEMBL192643 |
| EC No. | 209-452-5 |
| DTXSID | DTXSID3060378 |
| 현지명 | 2-브로모나프탈렌 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| 물질 분류 | Other Classes -> Naphthalenes |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 증기압 | 0.00347 [mmHg] |
| Physical Description | Solid[Merck Index] White to pale yellow powder[Alfa Aesar MSDS] |
| 녹는점 | 52-55 °C (lit.) |
| 끓는 점 | 281-282 °C (lit.) |
| 밀도 | 1,605 g/cm3 |
| 굴절률 | 1.6382 |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 메탄올: 용해성50mg/mL, 투명, 무색~노란색 |
| 물리적 상태 | 액체 |
| 색상 | 맑은 연한 노란색에서 주황색 갈색까지 |
| 용해도 | 약간 용해됨 |
| Merck | 14,1426 |
| BRN | 1858110 |
| 헨리 상수 | 4.3×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H |
| InChIKey | APSMUYYLXZULMS-UHFFFAOYSA-N |
| SMILES | Brc1ccc2ccccc2c1 |
| NIST | 2-Bromonaphthalene(580-13-2) |
| EPA | Naphthalene, 2-bromo- (580-13-2) |
화학적 성질
White or pale yellow powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Naphthalene, 2-bromo-Status: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24311Naphthalene, 2-bromo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 유해성 요약 | A strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See Naphthalene. |
| Hazard Classes and Categories | Acute Tox. 4 (94%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN1230 - class 3 - PG 2 - Methanol |
| 관세 코드 | 29039990 |
| 기존화학 물질 | 2011-2-70 |
| 위험 등급 | Acute Tox. 4 OralEye Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Bromonaphthalene is used as a raw material in the preparation of biaryls through Suzuki cross coupling reaction. Further, it plays a vital role in the preparation of dyes. It is also used to study potential tumorigenicity.
일반 설명
Reaction of 2-bromonaphthalene with cuprous cyanide in N-methylpyrrolidone has been investigated. Nanosecond time-resolved resonance Raman spectra of the T1→Tn transition of 2-bromonaphthalene in methanol solvent has been investigated.