CAS 45767-66-6 1-(Bromomethyl)-2-chloro-4-fluorobenzene (HCID 2725062)

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Grundinformationen

CAS: 45767-66-6
Standard-SMILES: Fc1ccc(CBr)c(Cl)c1
InChIKey: GAUUDQVOPUKGJD-UHFFFAOYSA-N
Summenformel: C7H5BrClF
Durchschnittliche Molmasse: 223,47 g/mol
Monoisotopische Masse: 221,92471816

Namen und Bezeichner

Bevorzugter Name: 1-(Bromomethyl)-2-chloro-4-fluorobenzene
IUPAC: 1-(bromomethyl)-2-chloro-4-fluorobenzene
Englischer Name: 2-Chloro-4-fluorobenzyl bromide
Summenformel: C7H5BrClF
Molmasse: 223.47

Namen und Synonyme

1-(bromomethyl)-2-chloro-4-fluorobenzeneRefChem:427225642-573-52-Chloro-4-fluorobenzyl bromide45767-66-6MFCD002360252-chloro-4-fluorobenzylbromide1-(bromomethyl)-2-chloro-4-fluoro-benzeneBenzene, 1-(bromomethyl)-2-chloro-4-fluoro-SCHEMBL1216302-chloro-4-flurobenzyl bromide4-fluoro-2-chlorobenzyl bromide

Weitere Namen anzeigen

TIMTEC-BB SBB0057622-choro-4-fluorobenzylbromidebromo-2-chloro-4-fluorotolueneà-bromo-2-chloro-4-fluorotoluene2-Chloro-4-fluorobenzyl bromide,99%2-Chloro-4-fluorobenzyl Bromide >ALPHA-BROMO-2-CHLORO-4-FLUOROTOLUENE2-Chloride-4-Fluoride Bromine Benzyl

SCHEMBL29569492DTXSID503693512-chloro-4-fluoro benzyl bromide2-chloro-4-fluoro-benzyl bromideSBB005762AKOS0091579271-bromomethyl-2-chloro-4-fluorobenzene2-CHLORO-4-FLUORO-BENZYLBROMIDE

Datenbank-Bezeichner

CAS: 45767-66-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-35°C
Siedepunkt: 226.8 · 226.8±25.0 °C(Predicted)
Dichte: 1.3879 · 1.3879 (rough estimate)
Brechungsindex: 1.555 · 1.5550 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: Crystalline Low Melting Mass
Farbe: White to yellow
BRN: 3539265 · 3539265
InChI: InChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
InChIKey: GAUUDQVOPUKGJD-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(F)C=C1Cl
CAS Datenbank: 45767 · 45767-66-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesMet. Corr. 1 (12.5%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 3265
hs_code: 29039990
risk_code: 34-22
hazard_code: C,Xn
hazard_note: Corrosive/Lachrymatory
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-4-fluorobenzyl bromide is used as a reagent in the synthesis of a variety of compounds, such as pharmaceuticals, agrochemicals, and industrial chemicals.