4-Bromcumol

1-Bromo-4-isopropylbenzene

HCID 11462

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 586-61-8
Standard-SMILES: CC(C)c1ccc(Br)cc1
InChIKey: MOZHUOIQYVYEPN-UHFFFAOYSA-N
Summenformel: C9H11Br
Durchschnittliche Molmasse: 199,09 g/mol
Monoisotopische Masse: 198,00441245

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-isopropylbenzene
IUPAC: 1-bromo-4-propan-2-ylbenzene
Lokaler Name: 4-Bromcumol
Englischer Name: 4-Bromocumene
Summenformel: C9H11Br
Molmasse: 199.09

Namen und Synonyme

1-Bromo-4-isopropylbenzene586-61-84-Bromoisopropylbenzenep-BromocumeneBenzene, 1-bromo-4-(1-methylethyl)-EINECS 209-577-5NSC 97223DTXSID7060411pBromocumene4BromocumeneCumene, pbromopBromoisopropylbenzene

Weitere Namen anzeigen

4-BROMOCUMENEcumene,p-bromo-Cumene, p-bromo-4-Bromocumene >4-isopropylbroMide1-Bromo-4-isopropyL4-ISOPROPYLBROMOBENZENE

4Isopropylbromobenzene2(pBromophenyl)propane2(4Bromophenyl)propaneRefChem:75133Cumene, pbromo (8CI)Benzene, 1bromo4(1methylethyl)DTXCID2042438MOZHUOIQYVYEPN-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 586-61-8
PubChem CID: 11462
DTXSID: DTXSID7060411
UNII: 3SYA3DG4GJ
EC Number: 209-577-5
Nikkaji: J94.990F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 90,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.2 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -22 °C · -22 °C
Siedepunkt: 103 · 103-104 °C(lit.)
Dichte: 1.286 g/mL · 1.286 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.537
Flammpunkt: 100 °C · >100°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wasserlöslichkeit: Insoluble in water
BRN: 1858096 · 1858096
InChI: InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKey: MOZHUOIQYVYEPN-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C(C)C)C=C1
CAS Datenbank: 586 · 586-61-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-bromo-4-(1-methylethyl)-(586-61-8)
EPA chemische Informationen: p-Bromocumene (586-61-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

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

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29039990
risk_code: 22-51/53
hazard_code: Xn,N,Xi
safety_code: 60
hazard_class: 9
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2