1,3-Diiodpropan

1,3-Diiodopropane

HCID 12314CAS 627-31-6

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Grundinformationen

Standard-SMILES: ICCCI
InChIKey: AAAXMNYUNVCMCJ-UHFFFAOYSA-N
Summenformel: C3H6I2
Durchschnittliche Molmasse: 295,89 g/mol
Monoisotopische Masse: 295,85589619

Namen und Bezeichner

Bevorzugter Name: 1,3-Diiodopropane
IUPAC: 1,3-diiodopropane
Lokaler Name: 1,3-Diiodpropan
Englischer Name: 1,3-Diiodopropane
Summenformel: C3H6I2
Molmasse: 295.89

Namen und Synonyme

1,3-DiiodopropanePROPANE, 1,3-DIIODO-K9QFA94XGYNSC-35647DTXSID7060837Propane, 1,3diiodoRefChem:72687DTXCID3043495210-993-4AAAXMNYUNVCMCJ-UHFFFAOYSA-NInChI=1/C3H6I2/c4-2-1-3-5/h1-3H627-31-6

Weitere Namen anzeigen

1,3-Diiodopro1,3-Dijodpropan1,3-DIIODOPROPANα,ω-DiiodopropaneTrimethylendijodid1,3-Diiode-propanePropane,1,3-diiodo-TRIMETHYLENE IODIDE

Trimethylene diiodideMFCD00001097NSC 35647EINECS 210-993-4BRN 1731117AI3-52340UNII-K9QFA94XGY4-01-00-00228 (Beilstein Handbook Reference)

Datenbank-Bezeichner

CAS: 627-31-6
PubChem CID: 12314
DTXSID: DTXSID7060837
UNII: K9QFA94XGY
EC Number: 210-993-4
Nikkaji: J6.866G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 5
Formalladung: 0
Komplexität: 12,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesSchoenflies notation

LogP3.02

Vapor Pressure0.26 [mmHg]

Physical DescriptionColorless to light orange liquid; Not miscible or difficult to mix in water; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: -20 °C · -20°C
Siedepunkt: 111 · 111-113 °C/31 mmHg (lit.)
Dichte: 2.576 g/mL · 2.576 g/mL at 25 °C (lit.)
Dampfdruck: 3.42 hPa · 3.42hPa at 20℃
Brechungsindex: 20 · n20/D 1.642(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear slightly yellow to pink
Wasserlöslichkeit: Insoluble in water.
BRN: 1731117 · 1731117
Stabilität: Stable, but light sensitive - store in the dark. Incompatible with strong bases, strong oxidizing agents.
InChI: 1S/C3H6I2/c4-2-1-3-5/h1-3H2
InChIKey: AAAXMNYUNVCMCJ-UHFFFAOYSA-N
SMILES: ICCCI
LogP: 3.6 at · 3.6 at 25℃
Oberflächenspannung: 46.51 mN/m · 46.51mN/m at 23°
CAS Datenbank: 627 · 627-31-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · Propane, 1,3-diiodo-(627-31-6)
EPA chemische Informationen: 1 · Propane, 1,3-diiodo- (627-31-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (94.3%): 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 29-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31817

Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (94.3%)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29033080
RTECS-Nr.: TY1080000
risk_code: 36/37/38
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropane, 1,3-diiodo-: ACTIVE

Anwendungen

Verwenden1,3-Diiodopropane is used as a reagent for organic synthesis. 1, 3-Diiodopropane is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.