2-Brom-5-fluortoluol

2-Bromo-5-fluorotoluene

HCID 96743CAS 452-63-1

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Grundinformationen

Standard-SMILES: Cc1cc(F)ccc1Br
InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N
Summenformel: C7H6BrF
Durchschnittliche Molmasse: 189,02 g/mol
Monoisotopische Masse: 187,96369051

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-fluorotoluene
IUPAC: 1-bromo-4-fluoro-2-methylbenzene
Lokaler Name: 2-Brom-5-fluortoluol
Englischer Name: 2-Bromo-5-fluorotoluene
Summenformel: C7H6BrF
Molmasse: 189.02

Namen und Synonyme

2-Bromo-5-fluorotoluene452-63-11-Bromo-4-fluoro-2-methylbenzeneBenzene, 1-bromo-4-fluoro-2-methyl-Z2EZM84G5X2-methyl-4-fluorobromobenzeneEINECS 207-203-5NSC-88287DTXSID90196421NSC 882874-FLUORO-2-METHYL-1-BROMOBENZENERefChem:466846

Weitere Namen anzeigen

2-BROMO-5-FULUOROTOLRENE2-Bromo-5-fL2-Bromo-5-fluorotolu2-Brom-5-fluortoluol2-Bromo-5-flurotoluene2-Bromo-5-fuluorotolueneTrelagliptin Impurity 59

DTXCID00118912207-203-53-Fluoro-6-bromotolueneMFCD00017921Trelagliptin Impurity 71-bromo-4-fluoro-2-methyl-benzene5-FLUORO-2-BROMOTOLUENE2-bromo-5-fluoro toluene

Datenbank-Bezeichner

CAS: 452-63-1
PubChem CID: 96743
DTXSID: DTXSID90196421
UNII: Z2EZM84G5X
EC Number: 207-203-5
Nikkaji: J196.150K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Physikochemische Eigenschaften

Siedepunkt: 177 °C/756 · 177 °C/756 mmHg (lit.)
Dichte: 1.495 g/mL · 1.495 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.526(lit.)
Flammpunkt: 113 °F · 113 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Difficult to mix.
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wichte: 1.495 · 1.495
Wasserlöslichkeit: INSOLUBLE
BRN: 1859121 · 1859121
InChI: InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(F)C=C1C
CAS Datenbank: 452 · 452-63-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Bromo-5-fluorotoluene(452-63-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (91.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29049090
risk_code: 10-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 16-26-36/37/39-37/39
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating.