Mercaptobernsteinsäure
(+-)-Mercaptosuccinic acid
Grundinformationen
- CAS
70-49-5- Standard-SMILES
O=C(O)CC(S)C(=O)O- InChIKey
NJRXVEJTAYWCQJ-UHFFFAOYSA-N- Summenformel
- C4H6O4S
- Durchschnittliche Molmasse
- 150,16 g/mol
- Monoisotopische Masse
- 149,99867967
Überblick
Thiomalic acid is a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a thiomalate(1-).
Namen und Bezeichner
- Bevorzugter Name
- (+-)-Mercaptosuccinic acid
- IUPAC
- 2-sulfanylbutanedioic acid
- Lokaler Name
- Mercaptobernsteinsäure
- Englischer Name
- Mercaptosuccinic acid
- Summenformel
- C4H6O4S
- Molmasse
- 150.15
Namen und Synonyme
Mercaptosuccinic acidThiomalic acid70-49-52-Mercaptosuccinic acid2-Thiomalic acidMonomercaptosuccinic acidMercaptosuccinateNSC-730294239W5L4HCHEBI:38705DTXSID20861615(+-)-mercaptosuccinic acid
Weitere Namen anzeigen
mercapto-Butanedioicacidusafm-2USAF M-2hiomalicaciusafek-p-6297USAF ek-p-62972-thiomalicacid
RefChem:483750DTXCID50810515200-736-4211-423-72-sulfanylbutanedioic acidButanedioic acid, mercapto-DL-Mercaptosuccinic acidMalic acid, 2-thio-
Datenbank-Bezeichner
- CAS
70-49-5- PubChem CID
- 6268
- DTXSID
DTXSID20861615- ChEMBL
CHEMBL4303414- ChEBI
CHEBI:38705- UNII
- 94239W5L4H
- EC Number
- 200-736-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 133
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionWhite solid with a sulfudic odor; [Merck Index] Light brown solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 155 · 155-157 °C(lit.)
- Siedepunkt
- 241.69 °C · 241.69°C (rough estimate)
- Dichte
- 1.352 · 1.352 (estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 500 g/l · 500g/l
- Aggregatzustand
- Crystalline Powder
- pka
- 4.68 · pKa 4.68±0.04(H2O t = 20.0±0.05 I = 0.15) (Uncertain)
- Farbe
- White to almost white
- Wasserlöslichkeit
- 150 g/L · 150 g/L (20 ºC)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (6 of 132) of reports.
Warning
H302 (92.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 132 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Butanedioic acid, mercapto-
Mercaptosuccinic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (92.4%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1759
- hs_code
- 29309070
- RTECS-Nr.
- WM8225000
- risk_code
- 22-36/37/38-34-20/21/22
- hazard_code
- Xn,C
- safety_code
- 26-36-36/37/39-45-27
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationButanedioic acid, 2-mercapto-: ACTIVE
Anwendungen
VerwendenMercaptosuccinic acid is used in the preparation of mercaptosuccinic acid diethyl ester by reaction with ethanol. It is also used as a brightening agent in metal plating. Further, it serves as an intermediate for the synthesis of corrosion inhibitors, soil fumigants, active pharmaceutical ingredients and electroplating agents.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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