Grundinformationen
- Standard-SMILES
O=C(O)CCSSCCC(=O)O- InChIKey
YCLSOMLVSHPPFV-UHFFFAOYSA-N- Summenformel
- C6H10O4S2
- Durchschnittliche Molmasse
- 210,3 g/mol
- Monoisotopische Masse
- 210,00205114
Namen und Bezeichner
- Bevorzugter Name
- 3,3'-Dithiodipropionic acid
- IUPAC
- 3-(2-carboxyethyldisulfanyl)propanoic acid
- Lokaler Name
- 3,3'-Dithiobispropionsure
- Englischer Name
- 3,3'-Dithiodipropionic acid
- Summenformel
- C6H10O4S2
- Molmasse
- 210.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1119-62-6、4775-93-3- PubChem CID
- 95116
- DTXSID
DTXSID0032998- ChEMBL
CHEMBL338743- UNII
- 42OP5B2NI6
- EC Number
- 214-284-0
- Nikkaji
- J32.944D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 125 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 142
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 155 · 155-158 °C(lit.)
- Siedepunkt
- 319.8 °C · 319.8°C (rough estimate)
- Dichte
- 1.319 · 1.319 (estimate)
- Brechungsindex
- 1.522 · 1.5220 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- Practically insoluble in water
- Löslichkeit
- DMSO (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Powder
- pka
- 3.94 · 3.94±0.10(Predicted)
- Farbe
- White
- BRN
- 1778543 · 1778543
- InChI
- InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
- InChIKey
- YCLSOMLVSHPPFV-UHFFFAOYSA-N
- SMILES
- S(CCC(O)=O)SCCC(O)=O
- CAS Datenbank
- 1119 · 1119-62-6(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Propanoic acid, 3,3'-dithiobis- (1119-62-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 3,3'-dithiobis-
Propanoic acid, 3,3'-dithiobis-: 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.
Regulatorische Informationen
Regulatory Information
Chemical: Propanoic acid, 3,3'-dithiobis-
Propanoic acid, 3,3'-dithiobis-: 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.
Sicherheitsdaten
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1759
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenHighly reactive species.
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