2-Bromocyclohexanone
Grundinformationen
- CAS
822-85-5- Standard-SMILES
O=C1CCCCC1Br- InChIKey
KDXYEWRAWRZXFT-UHFFFAOYSA-N- Summenformel
- C6H9BrO
- Durchschnittliche Molmasse
- 177,04 g/mol
- Monoisotopische Masse
- 175,98368
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromocyclohexanone
- IUPAC
- 2-bromocyclohexan-1-one
- Englischer Name
- 2-Bromo-cyclohexanone
- Summenformel
- C6H9BrO
- Molmasse
- 177.04
Namen und Synonyme
2-bromocyclohexanone822-85-5DTXSID30472791RefChem:85860DTXCID104236052-Bromocyclohexan-1-one2-BROMO-CYCLOHEXANONEMFCD09033417cyclohexanone, 2-bromo-Bromocyclohexanone2-bromo-1-cyclohexanone2-bromo-cyclohexan-1-one
Weitere Namen anzeigen
2-Bromocyclohexanone,>98%2-Bromocyclohexanone (±)-form2-BroMocyclohexanone >=90% (GC)2-BROMO-CYCLOHEXANONE 95 % GC, 95%TIANFUCHEM--822-85-5--2-BROMO-CYCLOHEXANONE in stock2-Bromocyclohexan-1-one (stabilized with HQ + CaCO3)
2-bromanylcyclohexan-1-oneA840293SCHEMBL9180552-Bromocyclohexanone, tech gradeKDXYEWRAWRZXFT-UHFFFAOYSA-N2-Bromocyclohexanone, >=90% (GC)AKOS011021079AS-38659
Datenbank-Bezeichner
- CAS
822-85-5- PubChem CID
- 11789758
- DTXSID
DTXSID30472791- EC Number
- 624-808-3
- Nikkaji
- J265.923I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 101
Physikochemische Eigenschaften
- Siedepunkt
- 89 · 89-90 °C(Press: 14 Torr)
- Dichte
- 1.34 · 1.3400
- Brechungsindex
- 1.516 · 1.516
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- liquid
- BRN
- 1071730 · 1071730
- InChI
- InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
- InChIKey
- KDXYEWRAWRZXFT-UHFFFAOYSA-N
- SMILES
- C1(=O)CCCCC1Br
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (97.6%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 2914790090
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
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