1-Bromo-2-methylnaphthalene

HCID 75754CAS 2586-62-1

기본 정보

표준 SMILES: Cc1ccc2ccccc2c1Br
InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
분자식: C11H9Br
평균 분자량: 221.09 g/mol
단동위원소 질량: 219.98876239

이름 및 식별자

우선 이름: 1-Bromo-2-methylnaphthalene
IUPAC: 1-bromo-2-methylnaphthalene
영어명: 1-Bromo-2-methylnaphthalene
분자식: C11H9Br
분자량: 221.09

이름 및 동의어

1-Bromo-2-methylnaphthalene2586-62-1DTXSID501805081-BMN cpdRefChem:75079DTXCID20102999219-966-1Naphthalene, 1-bromo-2-methyl-2-Methyl-1-bromonaphthaleneMFCD00003871.beta.-Methyl-.alpha.-bromonaphthalene1-bromo-2-methyl-naphthalene

이름 더 보기

1-broMo-2-Methylphthalene1-Bromo-2-methylnaphtalene1-Bromo-2-methylnaphthalene >beta-Methyl-alpha-bromonaphthalene1-BroMo-2-Methylnaphthalene, GC 90%1-Bromo-2-methylnaphthalene, 90-95%

1-Bromo-2-methyl naphthaleneSCHEMBL103139NSC 36286AC-27865CS-0128760F20354J-640280Z1251333005

데이터베이스 식별자

CAS: 2586-62-1
PubChem CID: 75754
DTXSID: DTXSID50180508
EC Number: 219-966-1
Nikkaji: J192.096K

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 155

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 296 °C · 296 °C (lit.)
밀도: 1.418 g/mL · 1.418 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.648(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
색상: 맑은 노란색
수용성: 물과 섞이지 않습니다.
BRN: 2042531 · 2042531
InChI: InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=CC=C1C

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38-11
hazard_code: Xi
safety_code: 26-36-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Bromo-2-methylnaphthalene is used as test compound in determination of halogenated hydrocarbons at trace levels by supercritical fluid chromatography-microwave-induced plasma mass spectrometry. Dynamic phosphorescence quenching of 1-bromo-2-methylnaphthalene without deoxygenation has been used for selective sensing of Cu(II) at ngm levels.

일반 설명Dynamic phosphorescence quenching of 1-bromo-2-methylnaphthalene without deoxygenation has been used for selective sensing of Cu(II) at ngml-1 levels. It undergoes asymmetric cross-coupling reaction with its corresponding Grignard reagent using a nickel catalyst to form non-racemic 2,2′-dimethyl-1,1′-binaphthyl.