CAS 1124-14-7 1-Bromo-4-cyclopropylbenzene (HCID 12221355)

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Grundinformationen

CAS: 1124-14-7
Standard-SMILES: Brc1ccc(C2CC2)cc1
InChIKey: JRDNBWVMEFUNCQ-UHFFFAOYSA-N
Summenformel: C9H9Br
Durchschnittliche Molmasse: 197,07 g/mol
Monoisotopische Masse: 195,98876239

Überblick

1-bromo-4-cyclopropylbenzene is a member of the class of bromobenzenes that is bromobenzene substituted by a cyclopropyl group at position 4. It has a role as a metabolite. It is a member of bromobenzenes and a member of cyclopropanes.

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-cyclopropylbenzene
IUPAC: 1-bromo-4-cyclopropylbenzene
Englischer Name: 1-Bromo-4-cyclopropylbenzene
Summenformel: C9H9Br
Molmasse: 197.07

Namen und Synonyme

1-bromo-4-cyclopropylbenzene1124-14-7CHEBI:87498RefChem:75127691-030-94-Cyclopropyl-bromobenzene4-Cyclopropylbromobenzene1-Bromo-4-cyclopropyl-benzeneC9H9BrMFCD00101828Benzene, 1-bromo-4-cyclopropyl-p-cyclopropylbromobenzene

Weitere Namen anzeigen

4-BROMOCYCLOPROPYLBENZENE(p-Bromophenyl)cyclopropane(4-Bromophenyl)cyclopropane4-Cyclopropylphenyl bromide1-Bromo-4-cyclopropylbenzene 99%1-Bromo-4-Cyclopropylbenzene,>98%1-Bromo-4-cyclopropylbenzene ISO 9001：2015 REACH

4-bromophenylcyclopropane4-(Cyclopropyl)bromobenzene4-bromo-1-cyclopropylbenzeneSCHEMBL265495SCHEMBL1669870SCHEMBL4326011SCHEMBL16952341SCHEMBL16952616

Datenbank-Bezeichner

CAS: 1124-14-7
PubChem CID: 12221355
DTXSID: DTXSID001309625

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 15 °C · 15 °C
Siedepunkt: 231 °C · 231 °C
Dichte: 1.474 · 1.474
Flammpunkt: 96 °C · 96 °C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: liquid
Farbe: Clear-colourless
InChI: InChI=1S/C9H9Br/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2
InChIKey: JRDNBWVMEFUNCQ-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C2CC2)C=C1
CAS Datenbank: 1124 · 1124-14-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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