Diphenylsulfid
Diphenyl sulfide
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Grundinformationen
- CAS
139-66-2- Standard-SMILES
c1ccc(Sc2ccccc2)cc1- InChIKey
LTYMSROWYAPPGB-UHFFFAOYSA-N- Summenformel
- C12H10S
- Durchschnittliche Molmasse
- 186,27 g/mol
- Monoisotopische Masse
- 186,05032132
Überblick
Diphenyl sulfide is an aryl sulfide that consists of two phenyl groups connected by a sulphur atom.
Namen und Bezeichner
- Bevorzugter Name
- Diphenyl sulfide
- IUPAC
- phenylsulfanylbenzene
- Lokaler Name
- Diphenylsulfid
- Englischer Name
- Diphenyl sulfide
- Summenformel
- C12H10S
- Molmasse
- 186.27
Namen und Synonyme
Diphenyl sulfidePhenyl sulfide139-66-2Diphenyl sulphideBenzene, 1,1'-thiobis-Diphenyl thioetherDiphenylmercaptanPhenylthiobenzeneDiphenylthiamethaneDiphenyl monosulfideSulfide, diphenylDiphenylsulphide
Weitere Namen anzeigen
diphenylsulfanephenyl thioetherDiphenyl sulphide 99%1,1’-Thiobis[benzene]C12H10SNSC 4568iphenylsulfideDiphenylsulfid
1,1'-Thiobis(benzene)1,1'-sulfanediyldibenzeneB5P3Y93MNRDTXSID8044383DTXCID6024383NSC-4568CHEBI:38959RefChem:588837
Datenbank-Bezeichner
- CAS
139-66-2- PubChem CID
- 8766
- DTXSID
DTXSID8044383- ChEMBL
CHEMBL219876- ChEBI
CHEBI:38959- UNII
- B5P3Y93MNR
- EC Number
- 205-371-4
- Nikkaji
- J2.023K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 25,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.45
Physical DescriptionColorless nearly odorless liquid; [Merck Index] Unpleasant odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -40 °C · -40 °C (lit.)
- Siedepunkt
- 296 °C · 296 °C (lit.)
- Dichte
- 1.113 g/mL · 1.113 g/mL at 20 °C (lit.)
- Dampfdruck
- 0.01 hPa · 0.01 hPa (25 °C)
- Brechungsindex
- 20 · n20/D 1.6327(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1,1'-thiobis-
Benzene, 1,1'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-thiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22903
Diphenyl sulphide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA severe skin irritant; Causes changes in liver and bladder weights and effects on food intake in 13-week oral studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Methyl phenyl sulfide.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 70,548 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Agriculture, Forestry, Fishing and Hunting
Benzene, 1,1'-thiobis-: ACTIVE
Anwendungen
VerwendenDiphenyl Sulfide is an aromatic organosulfur compound. Diphenyl Sulfide is metabolite of the fungicide Edifenphos as well as a potential Impurity of Fenticonazole Nitrate (F279250).
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