Bromcyclohexan
Cyclohexyl bromide
Grundinformationen
- CAS
108-85-0- Standard-SMILES
BrC1CCCCC1- InChIKey
AQNQQHJNRPDOQV-UHFFFAOYSA-N- Summenformel
- C6H11Br
- Durchschnittliche Molmasse
- 163,06 g/mol
- Monoisotopische Masse
- 162,00441
Namen und Bezeichner
- Bevorzugter Name
- Cyclohexyl bromide
- IUPAC
- bromocyclohexane
- Lokaler Name
- Bromcyclohexan
- Englischer Name
- Bromocyclohexane
- Summenformel
- C6H11Br
- Molmasse
- 163.06
Namen und Synonyme
BROMOCYCLOHEXANE108-85-0Cyclohexyl bromideCyclohexane, bromo-1-BromocyclohexaneYA0UMS4RNYEINECS 203-622-2NSC 11207AI3-28585NSC-11207CYCLOHEXYL BROMIDE [MI]DTXSID1044148
Weitere Namen anzeigen
CyclohexylbromidBromocylohexanebromo-cyclohexanBroMocyclohexanceCyclohexane,bromo-Cyelohexyl bromideBromocyclohexane>
1BromocyclohexaneCyclohexane, bromoRefChem:580805DTXCID9024148203-622-2InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5Hbromo-cyclohexaneMFCD00003819
Datenbank-Bezeichner
- CAS
108-85-0- PubChem CID
- 7960
- DTXSID
DTXSID1044148- UNII
- YA0UMS4RNY
- EC Number
- 203-622-2
- Nikkaji
- J5.082B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 46,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons
SpringerMaterials PropertiesCoriolis coupling
LogP3.2
Vapor Pressure3.62 [mmHg]
Physical DescriptionLiquid with a penetrating odor; [Merck Index] Colorless liquid with an unpleasant odor; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 57 °C · −57 °C (−71 °F; 216 K)
- Siedepunkt
- 166 to · 166 to 167 °C (331 to 333 °F; 439 to 440 K)
- Dichte
- 1.324 g/cm3 · 1.324 g/cm3
- Dampfdichte
- 5.62 · 5.62 (vs air)
- Brechungsindex
- 1.5 · 1.50
- Flammpunkt
- 62.8 °C · 62.8 °C (145.0 °F; 335.9 K)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Miscible with ethanol, ether, acetone, benzene and carbon tetrachloride.
- Aggregatzustand
- liquid
- Farbe
- colorless
- Wichte
- 1.33 · approximate 1.33 (20℃)
- Geruch (Odor)
- Unpleasant Odor
- Wasserlöslichkeit
- insoluble
- Merck
- 14 · 14,2730
- BRN
- 1098373 · 1098373
- Henry's Law Constant
- 7 · 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Dielectric constant
- 7.9 · 7.9(25℃)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChIKey
- AQNQQHJNRPDOQV-UHFFFAOYSA-N
- SMILES
- BrC1CCCCC1
- CAS Datenbank
- 108 · 108-85-0(CAS DataBase Reference)
- NIST chemische Informationen
- Cyclohexane, bromo-(108-85-0)
- EPA chemische Informationen
- Cyclohexane, bromo- (108-85-0)
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
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Warning
H227 (11.1%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexane, bromo-
REACH registered substance: Bromocyclohexane (EC: 203-622-2)
Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane.
Hazard Classes and CategoriesFlam. Liq. 4 (11.1%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2903890090
- RTECS-Nr.
- GU7171700
- risk_code
- 36/37/38-20-18-52
- hazard_code
- Xn
- safety_code
- 23-24/25-37/39-26
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 2
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an intermediate; [REPROTOX]
General Manufacturing InformationCyclohexane, bromo-: ACTIVE
Anwendungen
VerwendenBromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.
Darstellung
synthetischeBromocyclohexane is synthesized by the reaction of cycloethanol and hydrobromic acid.
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