7-Bromoquinoline

HCID 521259

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Grundinformationen

CAS: 4965-36-0
Standard-SMILES: Brc1ccc2cccnc2c1
InChIKey: XYBSZCUHOLWQQU-UHFFFAOYSA-N
Summenformel: C9H6BrN
Durchschnittliche Molmasse: 208,05 g/mol
Monoisotopische Masse: 206,96836129

Namen und Bezeichner

Bevorzugter Name: 7-Bromoquinoline
IUPAC: 7-bromoquinoline
Englischer Name: 7-Bromoquinoline
Summenformel: C9H6BrN
Molmasse: 208.05

Namen und Synonyme

7-bromoquinoline4965-36-0DTXSID40334593RefChem:105896DTXCID50285683689-306-9InChI=1/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6Quinoline, 7-bromo-MFCD03695823SMR0001626907-Bromoquinoline, AldrichCPRSCHEMBL440439

Weitere Namen anzeigen

7-BromoquinoL7-Bromoquinoline,95%7-Bromoquinoline >7-Bromoquinoline ,99%7-Bromoquinoline ,97%7-Bromo-1-azanaphthalene7-Bromoquinoline ISO 9001：2015 REACH

AKOS005256285HY-W004432AB15717AC-1472BL002815B41557-bromo-quinolineBCP08383

Datenbank-Bezeichner

CAS: 4965-36-0
PubChem CID: 521259
DTXSID: DTXSID40334593
ChEMBL: CHEMBL1372028
EC Number: 689-306-9
Nikkaji: J148.022G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

LogP2.92

Physikochemische Eigenschaften

Schmelzpunkt: 32 · 32-36℃
Siedepunkt: 290 °C · 290°C (rough estimate)
Dichte: 1.5617 · 1.5617 (rough estimate)
Brechungsindex: 1.6641 · 1.6641 (estimate)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: soluble in Toluene
Aggregatzustand: Solid
pka: 3.36 · 3.36±0.14(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
InChIKey: XYBSZCUHOLWQQU-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(Br)C=2)C=CC=1
CAS Datenbank: 4965 · 4965-36-0(CAS DataBase Reference)
NIST chemische Informationen: 7 · 7-bromoquinoline(4965-36-0)

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29334900
risk_code: 22
hazard_code: Xn

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden7-Bromoquinoline is an organic intermediate that can be used to prepare 1,4-dihydroquinoline heterocyclic compounds. 1,4-Dihydroquinoline heterocyclic compounds are not only a very important class of organic synthesis intermediates, but also widely used in various drugs because of their bactericidal, anti-inflammatory, anti-tumor and other biopharmacological activities.