o-Bromcumol

o-Bromocumene

HCID 23475CAS 7073-94-1

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Grundinformationen

Standard-SMILES: CC(C)c1ccccc1Br
InChIKey: LECYCYNAEJDSIL-UHFFFAOYSA-N
Summenformel: C9H11Br
Durchschnittliche Molmasse: 199,09 g/mol
Monoisotopische Masse: 198,00441

Namen und Bezeichner

Bevorzugter Name: o-Bromocumene
IUPAC: 1-bromo-2-propan-2-ylbenzene
Lokaler Name: o-Bromcumol
Englischer Name: 1-Bromo-2-(1-methylethyl)benzene
Summenformel: C9H11Br
Molmasse: 199.09

Namen und Synonyme

7073-94-11-Bromo-2-(1-methylethyl)benzeneO-BROMOCUMENEEINECS 230-370-0DTXSID80220986RefChem:855209DTXCID10143477230-370-01-Bromo-2-isopropylbenzene2-Bromocumene2-Isopropylbromobenzene1-bromo-2-propan-2-ylbenzene

Weitere Namen anzeigen

cumene,o-bromo-2-Bromocumene,97%2-Bromocumene >1-Bromo-2-isopropyLmethyl bromobenzene1-Bromo-2-(1-methyle

1-Bromo-2-IsopropYl-BenzeneCumene, o-bromo-1-bromo-2-isopropyl benzeneBenzene, 1-bromo-2-(1-methylethyl)-1-bromo-2-(propan-2-yl)benzeneMFCD000515672-BromoisopropylbenzeneCumene, 2-bromo-

Datenbank-Bezeichner

CAS: 7073-94-1
PubChem CID: 23475
DTXSID: DTXSID80220986
UNII: 6YV3W8ZB4K
EC Number: 230-370-0
Nikkaji: J44.145G

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: 98

Physikochemische Eigenschaften

Schmelzpunkt: -58.8 °C · -58.8°C
Siedepunkt: 90 °C · 90 °C
Dichte: 1.3 · 1.30
Brechungsindex: 1.541 · 1.5410
Flammpunkt: 90 · 90-92°C/15mm
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Wichte: 1.3 · 1.30
Wasserlöslichkeit: Insoluble in water.
BRN: 1857014 · 1857014
Henry's Law Constant: 1.7 · 1.7×10-3 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
InChI: InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey: LECYCYNAEJDSIL-UHFFFAOYSA-N
CAS Datenbank: 7073 · 7073-94-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-bromo-2-(1-methylethyl)-(7073-94-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (71.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (14.3%)；Aquatic Chronic 2 (71.4%)

Sicherheitsdaten

hs_code: 2903.99.8001
safety_code: 24/25
hazard_class: 9

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2-(1-methylethyl)benzene serves as a precursor for synthesizing 2-isopropylbenzaldehyde via reaction with lithium metal and N,N-dimethylformamide, and for preparing 2-(2-isopropylphenyl)pyridine derivatives through coupling with tert-butyllithium, 2-(2-isopropylphenyl)pyridine, and pyridine[1].