1-Iod-2,2-dimethylpropan

Propane, 1-iodo-2,2-dimethyl-

HCID 84953CAS 15501-33-4

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Grundinformationen

Standard-SMILES: CC(C)(C)CI
InChIKey: CJTZXIJETZZARD-UHFFFAOYSA-N
Summenformel: C5H11I
Durchschnittliche Molmasse: 198,05 g/mol
Monoisotopische Masse: 197,99054835

Namen und Bezeichner

Bevorzugter Name: Propane, 1-iodo-2,2-dimethyl-
IUPAC: 1-iodo-2,2-dimethylpropane
Lokaler Name: 1-Iod-2,2-dimethylpropan
Englischer Name: Neopentyl iodide
Summenformel: C5H11I
Molmasse: 198.05

Namen und Synonyme

1-Iodo-2,2-dimethylpropaneNeopentyl iodidePropane, 1-iodo-2,2-dimethyl-2,2-Dimethyl-1-iodopropane2,2-Dimethylpropyl iodideEINECS 239-533-0DTXSID3065904RefChem:176281DTXCID4034992239-533-0CJTZXIJETZZARD-UHFFFAOYSA-N15501-33-4

Weitere Namen anzeigen

1-iodo-2,2-dimethyl-propanNeopentyliodide, stabilizedPropane,1-iodo-2,2-dimethyl-Neopentyl iodide,97%,stabilizedNeopentyl Iodide extrapure, 98%Neopentyl iodide, stabilized, 97% 5GR

MFCD00001083BV5L8SHD6W1-iodo-2,2-dimethyl-propaneNeopentyliodide1-Iodo-2,2-dimethylpropane, 98%NSC617421UNII-BV5L8SHD6W1-Iodo-22-dimethylpropane

Datenbank-Bezeichner

CAS: 15501-33-4
PubChem CID: 84953
DTXSID: DTXSID3065904
ChEMBL: CHEMBL1993907
UNII: BV5L8SHD6W
EC Number: 239-533-0
Nikkaji: J317.944C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 33,7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Schmelzpunkt: -85.6 °C · -85.6°C (estimate)
Siedepunkt: 70 · 70-71 °C100 mm Hg(lit.)
Dichte: 1.494 g/mL · 1.494 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.489(lit.)
Flammpunkt: 91 °F · 91 °F
storage temp.: Flammables area
Aggregatzustand: liquid
BRN: 1718796 · 1718796
Stabilität: Stable, but may discolour upon exposure to light. Flammable. Incompatible with strong oxidizing agents.
InChI: 1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey: CJTZXIJETZZARD-UHFFFAOYSA-N
SMILES: CC(C)(C)CI
NIST chemische Informationen: 1 · Propane, 1-iodo-2,2-dimethyl-(15501-33-4)
EPA chemische Informationen: 1 · Propane, 1-iodo-2,2-dimethyl- (15501-33-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.