α-Brom-p-fluortoluol

4-Fluorobenzyl bromide

HCID 68021CAS 459-46-1

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Grundinformationen

Standard-SMILES: Fc1ccc(CBr)cc1
InChIKey: NVNPLEPBDPJYRZ-UHFFFAOYSA-N
Summenformel: C7H6BrF
Durchschnittliche Molmasse: 189,02 g/mol
Monoisotopische Masse: 187,96369051

Namen und Bezeichner

Bevorzugter Name: 4-Fluorobenzyl bromide
IUPAC: 1-(bromomethyl)-4-fluorobenzene
Lokaler Name: α-Brom-p-fluortoluol
Englischer Name: 4-Fluorobenzyl bromide
Summenformel: C7H6BrF
Molmasse: 189.02

Namen und Synonyme

4-Fluorobenzyl bromideBenzene, 1-(bromomethyl)-4-fluoro-alpha-Bromo-4-fluorotoluenealpha-Bromo-p-fluorotolueneGKL3GW5GWHToluene, .alpha.-bromo-p-fluoro-.alpha.-Bromo-4-fluorotolueneDTXSID8060032RefChem:99007Toluene, alpha-bromo-p-fluoro-DTXCID1040453NVNPLEPBDPJYRZ-UHFFFAOYSA-N

Weitere Namen anzeigen

Of fluoride broMide4-Fluorobenzyl bromiα-Bromo-4-fluorotoluene1-bromo-3-fluorotolueneà-bromo-4-fluorotoluene4-FLUOROBBENZYL BROMIDEA-BROMO-4-FLUOROTOLUENE

459-46-11-(Bromomethyl)-4-fluorobenzenep-Fluorobenzyl bromide4-fluorobenzylbromide1-(bromomethyl)-4-fluoro-benzeneMFCD00000359PARA-FLUOROBENZYL BROMIDE4-(bromomethyl)-1-fluorobenzene

Datenbank-Bezeichner

CAS: 459-46-1
PubChem CID: 68021
DTXSID: DTXSID8060032
UNII: GKL3GW5GWH
EC Number: 207-291-5
Nikkaji: J196.175F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 85 °C15 · 85 °C15 mm Hg(lit.)
Dichte: 1.517 g/mL · 1.517 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.547(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Chloroform
Aggregatzustand: Liquid
Wichte: 1.517 · 1.517
Farbe: Clear colorless to yellow
BRN: 636507 · 636507
InChI: 1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey: NVNPLEPBDPJYRZ-UHFFFAOYSA-N
SMILES: Fc1ccc(CBr)cc1
CAS Datenbank: 459 · 459-46-1(CAS DataBase Reference)
NIST chemische Informationen: -4 · «alpha»-Bromo-4-fluorotoluene(459-46-1)
EPA chemische Informationen: 4 · 4-Fluorobenzyl bromide (459-46-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBenzene, 1-(bromomethyl)-4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-36
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-(bromomethyl)-4-fluoro-: INACTIVE

Anwendungen

Verwenden4-Fluorobenzyl Bromide is a substituted benzyl bromide reagent used in the preparation of wide range of biologically active compounds such as bronchodialators, neurochemicals and antibacterials.