7-Bromobicyclo[4.2.0]octa-1,3,5-triene

HCID 568591CAS 21120-91-2

기본 정보

표준 SMILES: BrC1Cc2ccccc21
InChIKey: AYNXHFRDABNHRX-UHFFFAOYSA-N
분자식: C8H7Br
평균 분자량: 183.04 g/mol
단동위원소 질량: 181.97311232

이름 및 식별자

우선 이름: 7-Bromobicyclo[4.2.0]octa-1,3,5-triene
IUPAC: 7-bromobicyclo[4.2.0]octa-1,3,5-triene
영어명: 1-Bromobenzocyclobutene
분자식: C8H7Br
분자량: 183.05

이름 및 동의어

7-Bromobicyclo[4.2.0]octa-1,3,5-trieneDTXSID903409277-bromobicyclo(4.2.0)octa-1,3,5-trieneRefChem:545928DTXCID40292008980-836-921120-91-21-Bromobenzocyclobutene1-BROMO-BENZOCYCLOBUTANEBicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-MFCD17976891SCHEMBL1170559

이름 더 보기

1-BrBCB1-Bromobenzocyclobutene 95%1-bromo-1,2-dihydrobenzocyclobutene7-bromobicyclo[4.2.0]octa-1(6),2,4-triene7-BroMobicyclo[4.2.0]octa-1,3,5,7-tetraene1-Bromobenzocyclobutene ISO 9001：2015 REACH1-BrBCB 1-Bromobenzocyclobutene

1-bromo-1,2-dihydrocyclobutabenzeneDS-80367-bromo-bicyclo[4.2.0]octa-1,3,5-trienebromo benzocyclobutaneAM200303391-Bromobenzocyclobutene, 95%AC-154AKOS015913183

데이터베이스 식별자

CAS: 21120-91-2
PubChem CID: 568591
DTXSID: DTXSID90340927
EC Number: 980-836-9
Nikkaji: J1.095.600E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 90 °C/10.5 · 90 °C/10.5 mmHg (lit.)
밀도: 1.45 g/mL · 1.45 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.59(lit.)
인화점: 205 °F · 205 °F
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C8H7Br/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChIKey: JQOFZAWKFBCSHK-UHFFFAOYSA-N
SMILES: C12C(C(Br)C1)=CC=CC=2

화학적 성질

Colorless to pale 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2903898090
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-Bromobenzocyclobutene may be used in the synthesis of following compounds:five-membered zirconacyclesbenzocyclobutenol and benzocyclobutenone2,3-dimethoxyprotoberberinium bromide, via reaction with 3,4-dihydro-6,7-dimethoxyisoquinoline

일반 설명1-Bromobenzocyclobutene is a useful synthon. It has important applications in organometallic methodology. Reaction between cycloheptatriene, bromoform, potassium carbonate and 18-crown-6 at 140°C yields 1-bromobenzocyclobutene.

상·하류 제품 정보

상류 원료

Bicyclo[4.2.0]octa-1,3,5-triene,7,8-diiodo-2,2-dibromoethylbenzene Benzenediazonium-2-carboxylate 8-bicyclo[4.2.0]octa-1,3,5-trienyl acetate Benzocyclobutene 비시클로[4.2.0]옥탄-1,3,5-트리엔-7-올 1,3,5-시클로헵타트리 브로민화 바이닐(브롬화 비닐)브로모포름 안트라닐산

공급사50 곳

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