4-Bromstyrol

4-Bromostyrene

HCID 16263CAS 2039-82-9

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Grundinformationen

Standard-SMILES: C=Cc1ccc(Br)cc1
InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N
Summenformel: C8H7Br
Durchschnittliche Molmasse: 183,04 g/mol
Monoisotopische Masse: 181,97311232

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4-Bromostyrene
IUPAC: 1-bromo-4-ethenylbenzene
Lokaler Name: 4-Bromstyrol
Englischer Name: 4-Bromostyrene
Summenformel: C8H7Br
Molmasse: 183.05

Namen und Synonyme

4-BROMOSTYRENE2039-82-9p-Bromostyrene1-bromo-4-ethenylbenzeneBenzene, 1-bromo-4-ethenyl-TVK4S80XLUNSC-60393J7.855GDTXSID40174330RefChem:98226DTXCID8096821218-022-6

Weitere Namen anzeigen

DK657DK796NSC 603934-Bromstyrolp-BromostyrolBROMOSTYRENE-4

1-Bromo-4-vinylbenzeneStyrene, p-bromo-MFCD000001101-(4-Bromophenyl)ethylene1-bromo-4-vinyl-benzene4-Bromostyrene (Stabilized with TBC)p-BROMO STYRENE4-bromo-1-vinylbenzene

Datenbank-Bezeichner

CAS: 2039-82-9
PubChem CID: 16263
DTXSID: DTXSID40174330
UNII: TVK4S80XLU
EC Number: 218-022-6
Nikkaji: J7.855G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 90,7

Experimentelle und physikochemische Eigenschaften

PolymersPlastics & Rubber -> Styrenes

SpringerMaterials PropertiesBoiling point

Physical DescriptionPale yellow liquid; mp = 3-6 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 4.5 °C · 4.5 °C
Siedepunkt: 89 °C16 · 89 °C16 mm Hg(lit.)
Dichte: 1.4 g/mL · 1.40 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.594(lit.)
Flammpunkt: 168 °F · 168 °F
storage temp.: -20 °C · -20°C
Löslichkeit: Miscible with ethanol, ether and benzene.
Aggregatzustand: Liquid
Farbe: light greenish-yellow
BRN: 1634204 · 1634204
InChI: InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C=C)C=C1
CAS Datenbank: 2039 · 2039-82-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-BrC6H4CH=CH2(2039-82-9)

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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

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

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See p-Chlorostyrene.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 8
wgk: 3
hs_code: 29036990
risk_code: 36/38-36/37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 26-36-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Bromostyrene is widely utilized in the synthesis of nitroolefins by alkene cross-metathesis. It plays an important role in the Heck reaction to the synthesis of poly(1,4-phenylenevinylene). It is employed in the structure activity relationships (SAR) study of the chemical and biochemical properties of the vinyl group of styrene. It is also used to investigate the photochemical growth of Br-terminated self-assembled monolayers. It is also involved in the synthesis of silsesquioxanes.