(S)-1-Brom-2-methylbutan

1-Bromo-2-methylbutane, (+)-

HCID 5464167CAS 534-00-9

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Grundinformationen

Standard-SMILES: CC[C@H](C)CBr
InChIKey: XKVLZBNEPALHIO-YFKPBYRVSA-N
Summenformel: C5H11Br
Durchschnittliche Molmasse: 151,04 g/mol
Monoisotopische Masse: 150,00441245

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2-methylbutane, (+)-
IUPAC: (2S)-1-bromo-2-methylbutane
Lokaler Name: (S)-1-Brom-2-methylbutan
Englischer Name: (S)-1-Bromo-2-methylbutane
Summenformel: C5H11Br
Molmasse: 151.04

Namen und Synonyme

(S)-1-Bromo-2-methylbutane534-00-9d-Amyl bromide(2S)-1-bromo-2-methylbutaneButane, 1-bromo-2-methyl-, (2S)-CGS982PBTWEINECS 208-583-51-BROMO-2-METHYLBUTANE, (+)-1-BROMO-2-METHYLBUTANE, (2S)-(2S)-1-BROMO-2-METHYLBUTANE [MI]RefChem:430314(S)-(+)-1-Bromo-2-methylbutane

Weitere Namen anzeigen

(s)-butand-Amylbromideactiveamylbromide1-Brom-2-methylbutan(S)-l-1-bromo-2-methylbutane(S)-2-Methyl-1-bromobutane(+)-2-Methyl-1-bromobutane(S)(+)-2-METHYLBUTYLBROMIDE

UNII-CGS982PBTWMFCD00078662(S)-(+)-2-Methyl-1-bromobutane(+)-1-Bromo-2-methylbutane(2S)-1-bromo-2-methyl-butaneButane, 1-bromo-2-methyl-, (S)-(S)?-?(+)?-?1-?Bromo-?2-?methylbutane(+)-2-Methylbutyl bromide

Datenbank-Bezeichner

CAS: 534-00-9
PubChem CID: 5464167
DTXSID: DTXSID70878758
UNII: CGS982PBTW
EC Number: 208-583-5
Nikkaji: J57.176H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 27,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Schmelzpunkt: -105.4 °C · -105.4°C (estimate)
Siedepunkt: 121 · 121-122 °C(lit.)
Dichte: 1.223 g/mL · 1.223 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.445(lit.)
Flammpunkt: 72 °F · 72 °F
storage temp.: Store at room temperature
Löslichkeit: soluble in Acetone, Chloroform, Dichloromethane, Diethyl Ether
Aggregatzustand: Oil
Farbe: Colorless
Wasserlöslichkeit: Insoluble in water.
Merck: 13 · 13,605
BRN: 1718815 · 1718815
InChI: 1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKey: XKVLZBNEPALHIO-YFKPBYRVSA-N
SMILES: CC[C@H](C)CBr
CAS Datenbank: 534 · 534-00-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · Butane, 1-bromo-2-methyl-, (S)-(534-00-9)
EPA chemische Informationen: 1 · Butane, 1-bromo-2-methyl-, (2S)- (534-00-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (91.1%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationButane, 1-bromo-2-methyl-, (2S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 2 (91.1%)