(2-Bromethyl)cyclohexan

(2-Bromoethyl)cyclohexane

HCID 15440CAS 1647-26-3

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Grundinformationen

Standard-SMILES: BrCCC1CCCCC1
InChIKey: JRQAAYVLPPGEHT-UHFFFAOYSA-N
Summenformel: C8H15Br
Durchschnittliche Molmasse: 191,11 g/mol
Monoisotopische Masse: 190,03571

Namen und Bezeichner

Bevorzugter Name: (2-Bromoethyl)cyclohexane
IUPAC: 2-bromoethylcyclohexane
Lokaler Name: (2-Bromethyl)cyclohexan
Englischer Name: 2-Cyclohexylethyl bromide
Summenformel: C8H15Br
Molmasse: 191.11

Namen und Synonyme

(2-Bromoethyl)cyclohexane2-Cyclohexylethyl bromideCyclohexane, (2-bromoethyl)-DTXSID9075111AI3-17379NSC 6078EINECS 216-712-1NSC 46808RefChem:68575DTXCID5035290216-712-1JRQAAYVLPPGEHT-UHFFFAOYSA-N

Weitere Namen anzeigen

(2-bromoethyl)-cyclohexanecyclohexane,(2-bromoethyl)-2-Cyclohexylethyl bromide,98%1-Bromo-2-cyclohexylethane 98%2-CYCLOHEXYLETHYL BROMIDE ISO 9001：2015 REACH

1647-26-31-BROMO-2-CYCLOHEXYLETHANE2-bromoethylcyclohexane2-CyclohexylethylbromideMFCD00019398Bromoethyl cyclohexaneUNII-FJ47VAQ8KW1-bromo-2cyclohexylethane

Datenbank-Bezeichner

CAS: 1647-26-3
PubChem CID: 15440
DTXSID: DTXSID9075111
UNII: FJ47VAQ8KW
EC Number: 216-712-1
Nikkaji: J44.134A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 65

Physikochemische Eigenschaften

Schmelzpunkt: 57 °C · 57°C
Siedepunkt: 209 °C · 209 °C (lit.)
Dichte: 1.221 g/mL · 1.221 g/mL at 25 °C (lit.)
Brechungsindex: 1.49 · 1.4900
Flammpunkt: 96 °C · 96°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
BRN: 1919816 · 1919816
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey: JRQAAYVLPPGEHT-UHFFFAOYSA-N
SMILES: BrCCC1CCCCC1
CAS Datenbank: 1647 · 1647-26-3(CAS DataBase Reference)
EPA chemische Informationen: Cyclohexane, (2-bromoethyl)- (1647-26-3)

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 (33.3%): 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 6 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (33.3%)

Sicherheitsdaten

wgk: 3
hs_code: 29021900
risk_code: 36/38
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-CYCLOHEXYLETHYL BROMIDE is a reagent used in the cross-coupling and Grignard reactions. It is used in the synthesis of immunosuppressive agents consisting of 5-phenylalkoxypsoralens as well as agon ists for human vitamin-D resistant Rickets.