3-Brom-4-fluortoluol

3-Bromo-4-fluorotoluene

HCID 96745CAS 452-62-0

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Grundinformationen

Standard-SMILES: Cc1ccc(F)c(Br)c1
InChIKey: QLRKALMVPCQTMU-UHFFFAOYSA-N
Summenformel: C7H6BrF
Durchschnittliche Molmasse: 189,02 g/mol
Monoisotopische Masse: 187,96369051

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-4-fluorotoluene
IUPAC: 2-bromo-1-fluoro-4-methylbenzene
Lokaler Name: 3-Brom-4-fluortoluol
Englischer Name: 3-Bromo-4-fluorotoluene
Summenformel: C7H6BrF
Molmasse: 189.02

Namen und Synonyme

3-Bromo-4-fluorotoluene452-62-02-bromo-1-fluoro-4-methylbenzeneBenzene, 2-bromo-1-fluoro-4-methyl-SNF4C42NWZEINECS 207-201-4NSC-883132-fluoro-5-methylbromobenzeneDTXSID301964201-bromo-2-fluoro-5-methylbenzene5-METHYL-2-FLUOROBROMOBENZENENSC 88313

Weitere Namen anzeigen

3-Bromo-4-fluorotolu3-Bromo-4-fluotoluene3-Bromo-4-flurotoluene3-Bromo-4-fluorotoluene,99%3-broMo -4-fluorine toluene3-Bromo-4-fluorotoluene >3-Bromo-4-fluorotoluene 99%

TOLUENE, 3-BROMO-4-FLUORO-2-FLUORO-5-METHYL-1-BROMOBENZENERefChem:498653DTXCID40118911207-201-42-bromo-1-fluoro-4-methyl-benzeneMFCD000408274-fluoro-3-bromotoluene

Datenbank-Bezeichner

CAS: 452-62-0
PubChem CID: 96745
DTXSID: DTXSID30196420
UNII: SNF4C42NWZ
EC Number: 207-201-4
Nikkaji: J196.149G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
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: 169 °C/756 · 169 °C/756 mmHg (lit.)
Dichte: 1.507 g/mL · 1.507 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.531(lit.)
Flammpunkt: 164 °F · 164 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.52 · 1.52
Farbe: Clear colorless to light yellow
BRN: 1680604 · 1680604
InChI: InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey: QLRKALMVPCQTMU-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(C)C=C1Br
CAS Datenbank: 452 · 452-62-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBenzene, 2-bromo-1-fluoro-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.