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Grundinformationen
- CAS
102-08-9- Standard-SMILES
S=C(Nc1ccccc1)Nc1ccccc1- InChIKey
FCSHMCFRCYZTRQ-UHFFFAOYSA-N- Summenformel
- C13H12N2S
- Durchschnittliche Molmasse
- 228,31 g/mol
- Monoisotopische Masse
- 228,07211938
Überblick
Thiocarbanilide is a white to off-white powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Diphenylthiourea
- IUPAC
- 1,3-diphenylthiourea
- Lokaler Name
- 1,3-Diphenyl-2-thioharnstoff
- Englischer Name
- 1,3-Diphenyl-2-thiourea
- Summenformel
- C13H12N2S
- Molmasse
- 228.31
Namen und Synonyme
Thiocarbanilide102-08-9N,N'-DIPHENYLTHIOUREA1,3-Diphenyl-2-thioureaDiphenylthioureaSulfocarbanilideThiourea, N,N'-diphenyl-Stabilisator Csym-DiphenylthioureaRhenocure CAVulkacit CANocceler C
Weitere Namen anzeigen
1,3-DIPHENYLTHIOUREADFTActivitnoccelercN,N´Anchoracel
s-DiphenylthiocarbamideCarbanilide, thio-ThiokarbanilidUSAF EK-245N,N'-DiphenylthiocarbamideDPTUDTXSID4026139Urea, 1,3-diphenyl-2-thio-
Datenbank-Bezeichner
- CAS
102-08-9- PubChem CID
- 700999
- DTXSID
DTXSID4026139- ChEMBL
CHEMBL275260- ChEBI
CHEBI:138412- UNII
- 9YCB5VR86Z
- EC Number
- 203-004-2
- Nikkaji
- J64.497H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 56,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 196
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Thiourea Compounds
SpringerMaterials PropertiesCrystal structure
Density
1.32 (NTP, 1992) - Denser than water; will sink
1.32
Color/Form
CRYSTALLINE LEAFLETS
GRAY POWDER
WHITE TO FAINT GRAY POWDER
Solubility
less than 0.1 mg/mL at 66 °F (NTP, 1992)
ALMOST INSOL IN WATER; FREELY SOL IN ALC, ETHER
VERY SOL IN CHLOROFORM & OLIVE OIL
Boiling Point
Decomposes (NTP, 1992)
BP: DECOMP
DecompositionWHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF SO(X).
Melting Point
309 °F (NTP, 1992)
154 °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
Danger
H300 (17.3%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 248 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
Chemical: Thiourea, N,N'-diphenyl-
Thiourea, N,N'-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiourea, N,N'-diphenyl- 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: 23-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11688
1,3-Diphenylthiourea: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Fire PotentialCOMBUSTIBLE.
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits highly toxic fumes. (NTP, 1992)
Hazards SummaryCauses convulsions in oral lethal-dose studies of cats and cyanosis in oral lethal-dose studies of rabbits; [RTECS] An irritant; [Alfa Aesar MSDS]
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites1,3-DIPHENYLTHIOUREA YIELDS 1-(P-HYDROXYPHENYL)-3-PHENYLTHIOUREA IN RABBIT: WILLIAMS, RT, BIOCHEM J, 80, 1 PAGE (1961). /FROM TABLE/
Verwendung und Herstellung
Uses
Used as a vulcanizing accelerator, flotation agent, acid inhibitor, and intermediate; Also used in sulfur dyes, pharmaceuticals, surgical scrubs, and antiseptic skin cleansers; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
VULCANIZING ACCELERATOR; SULFUR DYES
INTERMEDIATES; SYNTHETIC ORG PHARMACEUTICALS; FLOTATION AGENT; ACID INHIBITOR
U.S. Production2023: 70,127 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
Methods of ManufacturingFROM ANILINE & CARBON DISULFIDE: FRY, J AM CHEM SOC 35, 1539 (1913); STASSE, US PATENT 2,435,295 (1948 TO ALLIED CHEM & DYE); FROM POTASSIUM ETHYLXANTHATE & ANILINE: ARAVINDAKSKAN ET AL, INDIAN J CHEM 1(9), 395 (1963).
General Manufacturing Information
Rubber Product Manufacturing
Thiourea, N,N'-diphenyl-: ACTIVE
TESTED AS A FUNGICIDE ON ASPERGILLUS NIGER & FUSARIUM OXYSPORUM IN VITRO.
TESTED AS AN INSECTICIDE AGAINST COTTON LEAFWORM LARVAE (SPODOPTERA LITTORALIS) & MOSQUITO (CULEX PIPIENS).
USED IN SURGICAL SCRUBS, ANTISEPTIC SKIN CLEANSERS & HAND LOTIONS.
INHIBITORY ACTION BY THE THIOCARBANILIDE DERIV AW 16' 1989 UPON MYCOBACTERIUM TUBERCULOSIS, M KANSASII & M MARINUM WAS STUDIED. MYCOBACTERIUM TUBERCULOSIS & M KANSASII WERE INHIBITED BY AW 16' 1989 BUT M MARINUM WAS NOT INHIBITED.
Anwendungen
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