1-Brom-3-methylbut-2-en

2-Butene, 1-bromo-3-methyl-

HCID 70092CAS 870-63-3

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Grundinformationen

Standard-SMILES: CC(C)=CCBr
InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N
Summenformel: C5H9Br
Durchschnittliche Molmasse: 149,03 g/mol
Monoisotopische Masse: 147,98876239

Namen und Bezeichner

Bevorzugter Name: 2-Butene, 1-bromo-3-methyl-
IUPAC: 1-bromo-3-methylbut-2-ene
Lokaler Name: 1-Brom-3-methylbut-2-en
Englischer Name: 3,3-Dimethylallyl bromide
Summenformel: C5H9Br
Molmasse: 149.03

Namen und Synonyme

870-63-31-Bromo-3-methylbut-2-enePrenyl bromide2-Butene, 1-bromo-3-methyl-EINECS 212-799-5DTXSID2061228RefChem:467467DTXCID9048560212-799-53,3-Dimethylallyl bromide1-Bromo-3-methyl-2-butene3-Methyl-2-butenyl bromide

Weitere Namen anzeigen

1-bromo-3-methyl-2-butenIsopentenyl bromide3,3-Dimethallylbromide4-BROMO-2-METHYL-2-BUTENE1-Brom-3-methyl-2-buten(4-2,2)IsoprenylbromideIsoaMylene broMide

1-Bromo-3-methyl-but-2-eneMFCD00000242Dimethylallyl bromide.gamma.,.gamma.-Dimethylallyl bromide1-Bromo-3-methyl-2-butene (90per cent)1-Bromo-3-methyl-2-butene (90%)2-methyl-4-bromo-2-butene3-methyl-1-bromo-2-butene

Datenbank-Bezeichner

CAS: 870-63-3
PubChem CID: 70092
DTXSID: DTXSID2061228
EC Number: 212-799-5
Nikkaji: J150.758C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 51

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: -106.7 °C · -106.7°C (estimate)
Siedepunkt: 82 · 82-83 °C150 mm Hg(lit.)
Dichte: 1.29 g/mL · 1.29 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.489(lit.)
Flammpunkt: 88 °F · 88 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless, yellow or brown
Wichte: 1.27 · 1.27
Wasserlöslichkeit: Immiscible with water
BRN: 1420778 · 1420778
InChI: 1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3
InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N
SMILES: C\C(C)=C\CBr
CAS Datenbank: 870 · 870-63-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Butene, 1-bromo-3-methyl-(870-63-3)
EPA chemische Informationen: 2 · 2-Butene, 1-bromo-3-methyl- (870-63-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (96.3%): Causes skin irritation [Warning Skin corrosion/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 1335 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Butene, 1-bromo-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (96.3%)

Sicherheitsdaten

F: 8-10-19-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29033990
risk_code: 10-34-20/21/22-11
hazard_code: C,F
safety_code: 26-36/37/39-45-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Butene, 1-bromo-3-methyl-: ACTIVE

Anwendungen

Verwenden3,3-Dimethylallyl bromide is a useful source of the 3,3-dimethylallyl or prenyl group for the synthesis of natural products1 and in the synthesis of base-modified pyrimidine nucleosides.2