Bromcyclobutan

Bromocyclobutane

HCID 78110CAS 4399-47-7

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Grundinformationen

Standard-SMILES: BrC1CCC1
InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N
Summenformel: C4H7Br
Durchschnittliche Molmasse: 135 g/mol
Monoisotopische Masse: 133,97311232

Namen und Bezeichner

Bevorzugter Name: Bromocyclobutane
IUPAC: bromocyclobutane
Lokaler Name: Bromcyclobutan
Englischer Name: Cyclobutyl bromide
Summenformel: C4H7Br
Molmasse: 135

Namen und Synonyme

Bromocyclobutane4399-47-7EINECS 224-530-9DTXSID20196010RefChem:570334DTXCID30118501224-530-9Cyclobutyl bromideCyclobutane, bromo-MFCD00001317cyclobutylbromidecyclobutylbromid

Weitere Namen anzeigen

obutaneCyclobutyl halideCyclobutane,bromo-BroMocyclobutane 96%Bromocyclobutane,95%Bromocyclobutane >Cyclobutylbromide,96%

bromo cyclobutanebromo-CyclobutaneBromocyclobutane, 96%R2WW7AXM8TSCHEMBL27396SCHEMBL1411615SCHEMBL2905548SCHEMBL3217229

Datenbank-Bezeichner

CAS: 4399-47-7
PubChem CID: 78110
DTXSID: DTXSID20196010
UNII: R2WW7AXM8T
EC Number: 224-530-9
Nikkaji: J205.778F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 30,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Siedepunkt: 108 °C · 108 °C(lit.)
Dichte: 1.434 g/mL · 1.434 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.479(lit.)
Flammpunkt: 72 °F · 72 °F
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless
Wasserlöslichkeit: Insoluble
BRN: 1900415 · 1900415
InChI: InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N
SMILES: C1(Br)CCC1
CAS Datenbank: 4399 · 4399-47-7(CAS DataBase Reference)
NIST chemische Informationen: Cyclobutyl bromide(4399-47-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

F: 8
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29038900
risk_code: 10-36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-16
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclobutyl bromide is a cyclopentyl compound that has an hydroxyl group. It is a potent inhibitor of the CB2 receptor, which is primarily expressed on cells of the immune system. Cyclobutyl bromide has been shown to inhibit the uptake of uv light and also has anti-inflammatory properties. Studies have confirmed that this drug inhibits the production of cytokines and chemokines in chronic bronchitis patients, as well as other inflammatory diseases such as rheumatoid arthritis.