Pentan-1,5-dithiol

1,5-Pentanedithiol

HCID 70236CAS 928-98-3

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Grundinformationen

Standard-SMILES: SCCCCCS
InChIKey: KMTUBAIXCBHPIZ-UHFFFAOYSA-N
Summenformel: C5H12S2
Durchschnittliche Molmasse: 136,3 g/mol
Monoisotopische Masse: 136,03804238

Namen und Bezeichner

Bevorzugter Name: 1,5-Pentanedithiol
IUPAC: pentane-1,5-dithiol
Lokaler Name: Pentan-1,5-dithiol
Englischer Name: 1,5-Pentanedithiol
Summenformel: C5H12S2
Molmasse: 136.28

Namen und Synonyme

1,5-PentanedithiolPentane-1,5-dithiol1,5-DimercaptopentaneUNII-R8RC3Q7T1WR8RC3Q7T1WEINECS 213-194-9NSC-516991,5-DITHIOLPENTANEDTXSID40239150NSC 51699RefChem:73553DTXCID60161641

Weitere Namen anzeigen

Pentan-1,5-dithiol1,5-diamyl mercapt1,5-diamyl mercaptan1,5-Pentanedithiol>

KMTUBAIXCBHPIZ-UHFFFAOYSA-N928-98-3MFCD00004908Pentamethylene dimercaptanpentamethylenedithiol1,5-pentanodithiolPentane-1,5-bisthiolpentamethylenedimercaptane

Datenbank-Bezeichner

CAS: 928-98-3
PubChem CID: 70236
DTXSID: DTXSID40239150
UNII: R8RC3Q7T1W
EC Number: 213-194-9
Nikkaji: J43.567H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 7
Formalladung: 0
Komplexität: 25,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -72 °C · -72 °C (lit.)
Siedepunkt: 107 · 107-108 °C/15 mmHg (lit.)
Dichte: 1.016 g/mL · 1.016 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.519(lit.)
Flammpunkt: 203 °F · 203 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: liquid
pka: 10.14 · 10.14±0.10(Predicted)
Wichte: 1.016 · 1.016
Farbe: Colourless
BRN: 1732335 · 1732335
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
InChI: 1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey: KMTUBAIXCBHPIZ-UHFFFAOYSA-N
SMILES: SCCCCCS
LogP: 2.685 · 2.685 (est)
CAS Datenbank: 928 · 928-98-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,5-Pentanedithiol(928-98-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,5-Pentanedithiol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Sicherheitsdaten

F: 13
wgk: 3
ridadr: UN3334
hs_code: 29309070
risk_code: 36/37/38-20/21/22-20/22
hazard_code: Xn
safety_code: 36/37/39-26-36-9
hazard_class: 9
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden1,5-Pentanedithiol was used as a cross-linker in the preparation of colloidal Au/Ag multilayer films. It was also used as derivatization reagent in determination of organoarsenic compounds in fish by GC-MS analysis.