4-Brombut-1-en

Homoallyl bromide

HCID 21241CAS 5162-44-7

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Grundinformationen

Standard-SMILES: C=CCCBr
InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N
Summenformel: C4H7Br
Durchschnittliche Molmasse: 135 g/mol
Monoisotopische Masse: 133,97311232

Namen und Bezeichner

Bevorzugter Name: Homoallyl bromide
IUPAC: 4-bromobut-1-ene
Lokaler Name: 4-Brombut-1-en
Englischer Name: 4-Bromo-1-butene
Summenformel: C4H7Br
Molmasse: 135

Namen und Synonyme

4-BROMO-1-BUTENE4-Bromobut-1-ene5162-44-73-Butenyl bromide1-Butene, 4-bromo-1-Bromo-3-buteneHomoallyl bromideQAF6NEE7294-BROMOBUTENE-1EINECS 225-937-4ALLYLCARBINYL BROMIDEDTXSID1063722

Weitere Namen anzeigen

4-Brombut-1-enhomoallylbromide4-Bromobutene-(1)

RefChem:788449DTXCID70410454-Bromobutene4-bromo-but-1-eneMFCD000002584-bromo-1-buten4-BROMO-1 BUTENE4-bromobuten

Datenbank-Bezeichner

CAS: 5162-44-7
PubChem CID: 21241
DTXSID: DTXSID1063722
UNII: QAF6NEE729
EC Number: 225-937-4
Nikkaji: J614I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 5
Formalladung: 0
Komplexität: 24,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

LogP2.53

Physikochemische Eigenschaften

Schmelzpunkt: -115.07 °C · -115.07°C (estimate)
Siedepunkt: 98 · 98-100 °C (lit.)
Dichte: 1.33 g/mL · 1.33 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.462(lit.)
Flammpunkt: 49 °F · 49 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 0.76 g/l · 0.76g/l
Aggregatzustand: Liquid
Farbe: Clear colorless to light brownish
Wichte: 1.33 · 1.330
Wasserlöslichkeit: Miscible with water, benzene, ether and ethanol.
BRN: 1098377 · 1098377
Stabilität: Stable. Incompatible with strong bases, strong oxidizing agents. Highly flammable. Light sensitive.
InChI: 1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2
InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N
SMILES: BrCCC=C
CAS Datenbank: 5162 · 5162-44-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Butene, 4-bromo-(5162-44-7)
EPA chemische Informationen: 1 · 1-Butene, 4-bromo- (5162-44-7)

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, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25534

4-Bromo-1-butene: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheitsdaten

F: 8-19
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29033036
risk_code: 11-36/37-42/43
hazard_code: F,Xn,Xi
safety_code: 26-36/37/39
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3