2-Bromo-2-methylcyclohexanone

HCID 11116853CAS 10409-47-9

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Grundinformationen

Standard-SMILES: CC1(Br)CCCCC1=O
InChIKey: NRPGPYHKXNYPCG-UHFFFAOYSA-N
Summenformel: C7H11BrO
Durchschnittliche Molmasse: 191,07 g/mol
Monoisotopische Masse: 189,99933

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-2-methylcyclohexanone
IUPAC: 2-bromo-2-methylcyclohexan-1-one

Namen und Synonyme

2-bromo-2-methylcyclohexanone2-bromo-2-methylcyclohexan-1-one10409-47-9DTXSID201307382RefChem:466163DTXCID401737325631-274-5Cyclohexanone, 2-bromo-2-methyl-SCHEMBL7655453NRPGPYHKXNYPCG-UHFFFAOYSA-N2-bromo-2-methyl-1-cyclohexanoneAKOS015906786

Weitere Namen anzeigen

EN300-102189

Datenbank-Bezeichner

CAS: 10409-47-9
PubChem CID: 11116853
DTXSID: DTXSID201307382
EC Number: 631-274-5
Nikkaji: J659.613D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 133

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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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.