3-Bromo-2-methyl-1-propene

HCID 357785CAS 1458-98-6

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Grundinformationen

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

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-2-methyl-1-propene
IUPAC: 3-bromo-2-methylprop-1-ene
Englischer Name: 3-Bromo-2-methylpropene
Summenformel: C4H7Br
Molmasse: 135

Namen und Synonyme

3-Bromo-2-methyl-1-propeneMethallyl bromideRefChem:498491604-496-53-Bromo-2-methylpropene1458-98-63-bromo-2-methylprop-1-ene2-(Bromomethyl)prop-1-ene2-Methylallyl Bromide1-Propene, 3-bromo-2-methyl- (9CI)MFCD001341553-bromo-2-methyl-prop-1-ene

Weitere Namen anzeigen

2-methylallylbromide3-Bromo-2-methyL2-(bromomethyl)propene33-bromo-2-methylpropene

1-Propene, 3-bromo-2-methyl-Methylallyl bromide3-bromo-2-methyl propene2-Methyl-2-propenyl Bromidemethallylbromide1-Bromo-2-methyl-2-propeneNSC6173103bromo-2-methylpropene

Datenbank-Bezeichner

CAS: 1458-98-6
PubChem CID: 357785
DTXSID: DTXSID80326816
EC Number: 604-496-5
Nikkaji: J461.282E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 38,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: -115.07 °C · -115.07°C (estimate)
Siedepunkt: 94 · 94-95 °C (lit.)
Dichte: 1.339 g/mL · 1.339 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.472(lit.)
Flammpunkt: 44 °F · 44 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Oil
Farbe: Clear Colourless to Pale Yellow
Wichte: 1.339 · 1.339
Stabilität: Light Sensitive
InChI: InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
InChIKey: USEGQJLHQSTGHW-UHFFFAOYSA-N
SMILES: C=C(C)CBr
CAS Datenbank: 1458 · 1458-98-6(CAS DataBase Reference)

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, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 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

wgk: 3
ridadr: UN 2924 3/PG 2
hs_code: 29033990
risk_code: 11-20/22-34-51/53
hazard_code: F,C,N
safety_code: 9-16-26-29-36/37/39-45-61
hazard_class: 3.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden3-Bromo-2-methylpropene is used as a general reagent for various organic reactions and primarily for amino acid synthesis and asymmetric amino acid synthesis.