Bromselenobenzol

Bromoselenobenzene

HCID 123446CAS 34837-55-3

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Grundinformationen

Standard-SMILES: Br[Se]c1ccccc1
InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
Summenformel: C6H5BrSe
Durchschnittliche Molmasse: 235,98 g/mol
Monoisotopische Masse: 235,87398356

Namen und Bezeichner

Bevorzugter Name: Bromoselenobenzene
IUPAC: phenyl selenohypobromite
Lokaler Name: Bromselenobenzol
Englischer Name: PHENYLSELENYL BROMIDE
Summenformel: C6H5BrSe
Molmasse: 235.97

Namen und Synonyme

Phenylselenyl bromide34837-55-3Benzeneselenenyl bromideBromoselenobenzeneEINECS 252-238-1DTXSID50188387RefChem:570391DTXCID80110878252-238-1Phenylselenenyl bromidephenyl selenohypobromitePhenyl hypobromoselenoite

Weitere Namen anzeigen

PhenylbromoseleniumPhenylbromo selenidePhenylseleno bromidePhenylselenium bromidephenylselenohypobromite

PhSeBrMFCD00000047phenylselenylbromideBenzeneselenyl bromide(PHENYLSELANYL)BROMANEphenyl selenium bromideSCHEMBL27929CHEMBL3335713

Datenbank-Bezeichner

CAS: 34837-55-3
PubChem CID: 123446
DTXSID: DTXSID50188387
ChEMBL: CHEMBL3335713
UNII: SSC5P7WU8V
EC Number: 252-238-1
Nikkaji: J88.967I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 59,5

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-62 °C (lit.)
Siedepunkt: 107 · 107-108 °C/15 mmHg (lit.)
Flammpunkt: 107 · 107-108°C/15mm
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in toluene, very faint turbidity.
Aggregatzustand: solid
Farbe: Orange to Brown to Dark purple
Geruch (Odor): unpleasant smell.
BRN: 2039772 · 2039772
InChI: InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
SMILES: [Se](C1=CC=CC=C1)Br
CAS Datenbank: 34837 · 34837-55-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H290 (84.8%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P390, P391, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPhenylselenyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesMet. Corr. 1 (84.8%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 2928 6.1/PG 2
hs_code: 29319090
risk_code: 23/25-33-50/53
hazard_code: T,N
safety_code: 20/21-28-45-60-61
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Met. Corr. 1STOT RE 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEmployed in the synthesis of enones by selenenylation of α-cyano ketones with lithium naphthalenide. Phenylselenyl bromide was used in the preparation of exo-2-methyl-7-phenylselenyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione and endo-2-methyl-7-phenylselanyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione.