1-Bromo-2-methyl-1-propene

HCID 98560CAS 3017-69-4

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Grundinformationen

Standard-SMILES: CC(C)=CBr
InChIKey: DEFNUDNHTUZJAL-UHFFFAOYSA-N
Summenformel: C4H7Br
Durchschnittliche Molmasse: 135 g/mol
Monoisotopische Masse: 133,97311232

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2-methyl-1-propene
IUPAC: 1-bromo-2-methylprop-1-ene
Englischer Name: 1-BROMO-2-METHYLPROPENE
Summenformel: C4H7Br
Molmasse: 135

Namen und Synonyme

1-Bromo-2-methyl-1-propene1-Propene, 1-bromo-2-methyl-NSC 148224DTXSID40184252RefChem:75077DTXCID501067431-Propene, 1-bromo-2-methyl-(9CI)629-499-9DEFNUDNHTUZJAL-UHFFFAOYSA-N3017-69-41-bromo-2-methylprop-1-ene1-Bromo-2-methylpropene

Weitere Namen anzeigen

2-methyl-1-propenylbromideIsocrtyl bromide1-Bromoisobutene1-Bromo-2-methyL(Z)-1-Bromo-2-butene(2Z)-1-Bromo-2-butene

Isocrotyl bromide2-Methyl-1-propenyl bromidePropene, 1-bromo-2-methyl-.beta.,.beta.-Dimethylvinylbromide1-Bromo-2-methyl-propeneMFCD00009885NSC-148224NSC148224

Datenbank-Bezeichner

CAS: 3017-69-4
PubChem CID: 98560
DTXSID: DTXSID40184252
ChEMBL: CHEMBL157418
UNII: VJM9JG6TGN
EC Number: 629-499-9
Nikkaji: J151.260I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 41,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -115.07 °C · -115.07°C (estimate)
Siedepunkt: 92 °C · 92 °C (lit.)
Dichte: 1.318 g/mL · 1.318 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.462(lit.)
Flammpunkt: 46 °F · 46 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
BRN: 1733844 · 1733844
InChI: InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3
InChIKey: DEFNUDNHTUZJAL-UHFFFAOYSA-N
SMILES: C(/Br)=C(\C)/C
CAS Datenbank: 3017 · 3017-69-4

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 42 reports by companies from 5 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: 8-19
wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-33
hazard_class: 3.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2-methyl-1-propene has been used in:preparation of esters of 2,4-dienoic acids via palladium catalyzed reaction with methyl acrylate in the presence of triethylaminetotal synthesis of ocular age pigment, A2-Esynthesis of 3-nor-geraniol [2H2]