1-Bromnaphthalin-2-carbaldehyd

1-Bromonaphthalene-2-carbaldehyde

HCID 76909CAS 3378-82-3

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Grundinformationen

Standard-SMILES: O=Cc1ccc2ccccc2c1Br
InChIKey: CYGUXEZVBLMVRV-UHFFFAOYSA-N
Summenformel: C11H7BrO
Durchschnittliche Molmasse: 235,08 g/mol
Monoisotopische Masse: 233,96802694

Namen und Bezeichner

Bevorzugter Name: 1-Bromonaphthalene-2-carbaldehyde
IUPAC: 1-bromonaphthalene-2-carbaldehyde
Lokaler Name: 1-Bromnaphthalin-2-carbaldehyd
Englischer Name: 1-BROMO-2-NAPHTHALDEHYDE
Summenformel: C11H7BrO
Molmasse: 235.08

Namen und Synonyme

3378-82-31-Bromonaphthalene-2-carbaldehyde1-bromo-2-naphthalenecarboxaldehydeEINECS 222-180-1DTXSID60187442RefChem:430771DTXCID70109933222-180-11-bromo-2-naphthaldehydeMFCD000463682-Naphthalenecarboxaldehyde, 1-bromo-1-bromo-2-naphtaldehyde

Weitere Namen anzeigen

1-Bromo-2-naphthal1-broMo-2-phthaldehyde1-Bromo-2-naphthaldehyde >1-BROMO-2-NAPHTHALDEHYDE 96+%1-Bromo-2-naphthalenecarbaldehyde1-bromo-2-naphthaldehyde crystalline

SCHEMBL9504361-bromo-naphthalene-2-carbaldehydeCS-W004895SB66995AC-27834AS-186401-BromonaphthaleFT-0634812

Datenbank-Bezeichner

CAS: 3378-82-3
PubChem CID: 76909
DTXSID: DTXSID60187442
EC Number: 222-180-1
Nikkaji: J205.466C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 118 °C · 118°C
Siedepunkt: 347 ℃ · 347℃
Dichte: 1.552 · 1.552
Flammpunkt: 120 ℃ · 120℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: crystals
BRN: 2613639 · 2613639
InChI: InChI=1S/C11H7BrO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKey: CYGUXEZVBLMVRV-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=CC=C1C=O
CAS Datenbank: 3378 · 3378-82-3(CAS DataBase Reference)

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2-naphthaldehyde is used as a reagent in the synthesis of Hoveyda-Grubbs type metathesis catalysts which are used in cross olefin metathesis. 1-Bromo-2-naphthaldehyde is also used in the preparation of novel (-)-cercosporamide derivatives as potent selective PPARγ modulators.