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

HCID 2736298CAS 99725-44-7

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Grundinformationen

Standard-SMILES: Cc1cc(Br)cc(C)c1F
InChIKey: ZXPHUVHMBKRRJF-UHFFFAOYSA-N
Summenformel: C8H8BrF
Durchschnittliche Molmasse: 203,05 g/mol
Monoisotopische Masse: 201,97934058

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-fluoro-1,3-dimethylbenzene
IUPAC: 5-bromo-2-fluoro-1,3-dimethylbenzene
Englischer Name: 5-Bromo-2-fluoro-m-xylene
Summenformel: C8H8BrF
Molmasse: 203.05

Namen und Synonyme

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

Weitere Namen anzeigen

4-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 104

Physikochemische Eigenschaften

Siedepunkt: 95 °C · 95 °C
Dichte: 1 · 1,45 g/cm3
Brechungsindex: 1.527 to · 1.5270 to 1.5320
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: 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
CAS Datenbank: 99725 · 99725-44-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

hs_code: 2903998090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-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.