2-Brommesitylen

2-Bromomesitylene

HCID 68473CAS 576-83-0

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Grundinformationen

Standard-SMILES: Cc1cc(C)c(Br)c(C)c1
InChIKey: RRTLQRYOJOSPEA-UHFFFAOYSA-N
Summenformel: C9.H11.Br
Durchschnittliche Molmasse: 199,09 g/mol
Monoisotopische Masse: 198,00441245

Namen und Bezeichner

Bevorzugter Name: 2-Bromomesitylene
IUPAC: 2-bromo-1,3,5-trimethylbenzene
Lokaler Name: 2-Brommesitylen
Englischer Name: 2,4,6-Trimethybromombenzene
Summenformel: C9H11Br
Molmasse: 199.09

Namen und Synonyme

2-Bromomesitylene576-83-02,4,6-Trimethylbromobenzene2-Bromo-1,3,5-trimethylbenzeneMesityl bromideBromomesityleneBenzene, 2-bromo-1,3,5-trimethyl-2,4,6-Trimethylphenyl bromideMesitylene, 2-bromo-1-Bromo-2,4,6-trimethylbenzeneNSC 8064X99GJ54YDY

Weitere Namen anzeigen

1-Bromomesitylene2-BROMOM2-Bromomesifylene

NSC-8064EINECS 209-405-9AI3-07033DTXSID4060363RefChem:467276Mesitylene, 2-bromo-(8CI)DTXCID0042242209-405-9

Datenbank-Bezeichner

CAS: 576-83-0
PubChem CID: 68473
DTXSID: DTXSID4060363
UNII: X99GJ54YDY
EC Number: 209-405-9
Nikkaji: J47.000G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 99,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Density1.301 @25 °C

Boiling Point225 °C @760 [mm Hg]

Melting Point-1 °C

Physikochemische Eigenschaften

Schmelzpunkt: 2 °C · 2 °C(lit.)
Siedepunkt: 225 °C · 225 °C(lit.)
Dichte: 1.301 g/mL · 1.301 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.552(lit.)
Flammpunkt: 205 °F · 205 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to very slightly yellow
Wasserlöslichkeit: Insoluble in water(20°C) .
BRN: 1907245 · 1907245
InChI: InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey: RRTLQRYOJOSPEA-UHFFFAOYSA-N
SMILES: C1(C)=CC(C)=CC(C)=C1Br
CAS Datenbank: 576 · 576-83-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzene, 2-bromo-1,3,5-trimethyl-(576-83-0)
EPA chemische Informationen: 2 · 2-Bromomesitylene (576-83-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.9%): 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Bromomesitylene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-36/37/39-23
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 2-bromo-1,3,5-trimethyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Bromomesitylene is a useful synthetic intermediate, Aromatics, Boron Derivatives, Catalyst. It is an intermediate used to prepare Hydrogen[4-[bis(2,4,6-trimethylphenyl)phosphino]-2,3,5,6-tetrafluorophenyl]hydrobis(2,3,4,5,6-pentafluorophenyl)borate (H714510) which is a frustrated phosphonium borate for metal-free catalytic hydrogenation of imines.