2-Bromo-1-cyclohexylethanone

HCID 11160027

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Grundinformationen

CAS: 56077-28-2
Standard-SMILES: O=C(CBr)C1CCCCC1
InChIKey: ADLIDZNESKOPIP-UHFFFAOYSA-N
Summenformel: C8H13BrO
Durchschnittliche Molmasse: 205,09 g/mol
Monoisotopische Masse: 204,01498

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-cyclohexylethanone
IUPAC: 2-bromo-1-cyclohexylethanone
Englischer Name: Ethanone, 2-bromo-1-cyclohexyl- (9CI)
Summenformel: C8H13BrO
Molmasse: 205.09

Namen und Synonyme

2-bromo-1-cyclohexylethanone56077-28-22-bromo-1-cyclohexylethan-1-oneDTXSID60457238RefChem:466064DTXCID50408057611-350-42-bromo-1-cyclohexyl-ethanoneMFCD08444491C8H13BrOEthanone, 2-bromo-1-cyclohexyl-2-bromoacetylcyclohexane

Weitere Namen anzeigen

(Bromoacetyl)cyclohexaneCyclohexyl bromomethyl ketoneBromomethyl cyclohexyl ketone1-Bromo-2-cyclohexylethan-2-oneEthanone, 2-bromo-1-cyclohexyl- (9CI)

2-bromoacetyl cyclohexaneBromomethylcyclohexylketonebrommethyl-cyclohexybrommethyl-cyclohexylketoneBromomethyl-cyclohexylketoneSCHEMBL611777ADLIDZNESKOPIP-UHFFFAOYSA-NSBB070774

Datenbank-Bezeichner

CAS: 56077-28-2
PubChem CID: 11160027
DTXSID: DTXSID60457238
EC Number: 611-350-4
Nikkaji: J1.454.082B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: -3.5 · -3.5-2 °C
Siedepunkt: 124 · 124-125 °C(Press: 25 Torr)
Dichte: 1.359 · 1.359
storage temp.: 2 · Storage temp. 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.；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.