5-브로모-2-플루오로-M-자일렌

5-Bromo-2-fluoro-1,3-dimethylbenzene

HCID 2736298CAS 99725-44-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(Br)cc(C)c1F
InChIKey: ZXPHUVHMBKRRJF-UHFFFAOYSA-N
분자식: C8H8BrF
평균 분자량: 203.05 g/mol
단동위원소 질량: 201.97934058

이름 및 식별자

우선 이름: 5-Bromo-2-fluoro-1,3-dimethylbenzene
IUPAC: 5-bromo-2-fluoro-1,3-dimethylbenzene
현지명: 5-브로모-2-플루오로-M-자일렌
영어명: 5-Bromo-2-fluoro-m-xylene
분자식: C8H8BrF
분자량: 203.05

이름 및 동의어

99725-44-75-bromo-2-fluoro-1,3-dimethylbenzeneDTXSID90371256RefChem:533184DTXCID60322290671-133-55-Bromo-2-Fluoro-M-Xylene4-bromo-2,6-dimethylfluorobenzene5-bromo-2-fluoro-1,3-dimethyl-benzeneMFCD01320701Benzene, 5-bromo-2-fluoro-1,3-dimethyl-1-Bromo-4-fluoro-3,5-dimethylbenzene

이름 더 보기

5-브로모-2-플루오로-M-자일렌4-Bromo-2,6-dimethylfluorobenzene 99%5-Bromo-2-fluoro-m-xyene5-Bromo-2-fluoro-1,3-xylene5-Bromo-2-fluoro-m-xylene >5-Bromo-2-fluoro-m-xylene

SCHEMBL1144875CS-B08585-bromo-2-fluoro-3-xyleneSY030457TS-00346EN300-999093,5-Dimethyl-4-fluorobromobenzeneAM62516

데이터베이스 식별자

CAS: 99725-44-7
PubChem CID: 2736298
DTXSID: DTXSID90371256
EC Number: 671-133-5

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

물리화학적 성질

끓는 점: 95 °C · 95 °C
밀도: 1 · 1,45 g/cm3
굴절률: 1.527 to · 1.5270 to 1.5320
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey: ZXPHUVHMBKRRJF-UHFFFAOYSA-N
SMILES: C1(C)=CC(Br)=CC(C)=C1F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (12.5%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (12.5%)

안전 데이터

HS 번호: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도5-Bromo-2-fluoro-m-xylene is an aromatic halide compound. Its chemical properties are mainly concentrated on the bromine atom on its benzene ring. It can be used to prepare Grignard reagents and aromatic boron compounds. In addition, this substance can undergo cross-coupling reactions with metal-organic reagents under the catalysis of transition metals and can be used to prepare polysubstituted fluorobenzene organic molecules.