2-Bromo-1-indanone

HCID 137203CAS 1775-27-5

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2CC1Br
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
Summenformel: C9H7BrO
Durchschnittliche Molmasse: 211,05 g/mol
Monoisotopische Masse: 209,96803

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-indanone
IUPAC: 2-bromo-2,3-dihydroinden-1-one
Englischer Name: 2-Bromo-1-indanone
Summenformel: C9H7BrO
Molmasse: 211.06

Namen und Synonyme

2-Bromo-1-indanone1775-27-5RefChem:85626627-652-4UXVCSPSWUNMPMT-UHFFFAOYSA-N2-Bromoindan-1-one2-Bromoindanone2-bromo-2,3-dihydroinden-1-one2-bromo-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2-bromo-2,3-dihydro-MFCD000410301175-27-5

Weitere Namen anzeigen

6-Bromindan-1-on2-Bromo-1-indanone 90%2-Bromo-1-indanone ,85%2-BROMO-1-INDANONE: TECH.2-Bromo-1-indanone ,tech.2-Bromoindanone, tech., 90%2-BroMo-1-indanone, tech., 8

bromoindanone2-bromo indanone2-bromo-indan-1-one2-Bromo-1-indanone, 90%SCHEMBL296403SCHEMBL27490753SCHEMBL29752636DTXSID00938935

Datenbank-Bezeichner

CAS: 1775-27-5
PubChem CID: 137203
DTXSID: DTXSID00938935
EC Number: 627-652-4
Nikkaji: J954.256F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-38 °C (lit.)
Siedepunkt: 110 · 110-112 °C/0.4 mmHg (lit.)
Dichte: 1.427 · 1.4270 (rough estimate)
Brechungsindex: 1.572 · 1.5720 (estimate)
Flammpunkt: 110 · 110-112°C/0.4mm
storage temp.: 2 · Storage temp. 2-8°C
BRN: 637789 · 637789
InChI: 1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
SMILES: BrC1Cc2ccccc2C1=O
CAS Datenbank: 1775 · 1775-27-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 Corr. 1B (90.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1759
hs_code: 29147000
risk_code: 36/37/38-34
hazard_code: C
safety_code: 24/25-36/37/39-27-26
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-1-indanone may be used in the preparation of trans-2-benzal-1-indanone epoxide via Darzens-type condensation with benzaldehyde. It may also be employed as substrate to investigate the substrate specificity of recombinant β-keto ester reductase (KER) of Penicillium citrinum.