ChemicalBook--->CAS DataBase List--->102-08-9

102-08-9

102-08-9 Structure

102-08-9 Structure
IdentificationMore
[Name]

1,3-Diphenyl-2-thiourea
[CAS]

102-08-9
[Synonyms]

1,3-DIPHENYL-2-THIOUREA
1,3-DIPHENYLTHIOUREA
AKOS B029748
DIPHENYLSULFOUREA
LABOTEST-BB LT00576983
N,N'-DIPHENYLTHIOUREA
S-DIPHENYLTHIOCARBAMIDE
S-DIPHENYLTHIOUREA
S-DIPHENYLTHLOUREA
SYM-DIPHENYLTHIOUREA
THIOCARBANILIDE
1,2-Diphenyl-2-thiourea
1,3-Difenylthiomocovina
1,3-diphenyl-2-thio-ure
2-Fenylotiomocznik
a-1 Thiocarbanilide
Activit
Akrochem thio No. 1
Anchoracel
Carbanilide, thio-
[EINECS(EC#)]

203-004-2
[Molecular Formula]

C13H12N2S
[MDL Number]

MFCD00004921
[Molecular Weight]

228.31
[MOL File]

102-08-9.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

152-155 °C(lit.)
[Boiling point ]

50℃
[bulk density]

400kg/m3
[density ]

1.32
[vapor pressure ]

0.001Pa@25°C
[refractive index ]

1.5700 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

Practically insoluble[in water]
[form ]

Crystalline Powder
[pka]

12.68±0.70(Predicted)
[color ]

White to pale yellow
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

<0.01 g/100 mL at 19 ºC
[Merck ]

14,3333
[BRN ]

644277
[InChI]

1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
[Contact allergens]

It is a rubber chemical used as an accelerator and stabilizing agent in neoprene
[InChIKey]

FCSHMCFRCYZTRQ-UHFFFAOYSA-N
[SMILES]

S=C(Nc1ccccc1)Nc2ccccc2
[LogP]

3.6
[CAS DataBase Reference]

102-08-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Thiourea, n,n'-diphenyl-(102-08-9)
[EPA Substance Registry System]

102-08-9(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

Vulcanizing accelerator; sulfur dyes.
[General Description]

White to off-white powder.
[Reactivity Profile]

An organosulfide amide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
[Air & Water Reactions]

Insoluble in water.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits highly toxic fumes.
[Fire Hazard]

Flash point data for this chemical are not available. THIOCARBANILIDE(102-08-9) is probably combustible.
[Description]

Diphenylthiourea is a rubber chemical used as an accelerator and stabilizer in neopren.
[Definition]

ChEBI: N,N'-diphenylthiourea is thiourea in which each nitrogen carries a phenyl substituent. It has a role as an allergen.
[Synthesis Reference(s)]

Tetrahedron Letters, 15, p. 1191, 1974 DOI: 10.1016/S0040-4039(01)82442-4
[Flammability and Explosibility]

Nonflammable(100%)
[Industrial uses]

Thiocarbanilide (diphenyl thiourea) is a crystalline compound, only marginally soluble in water. In solution, it can assume a tautomeric form, typical of thiocarbanilide.
The first tautomer has acidic characteristics. The hydrogen can easily react with cations from the mineral surface and therefore can act as a collector. The second form (II) does not have collecting properties. Thiocarbanilide is a very effective and selective collector for galena. Diphenylthiocarbazide (C6H5–NH–NH)2–C=S. This collector also appears in two forms; in the active form the hydrogen is connected to sulfur. This reagent can be both anionic and cationic. This collector can be utilized for flotation of nickel and cobalt minerals after treatment of the pulp with copper sulfate.
[Purification Methods]

Crystallise the thiourea from boiling EtOH by adding hot water and allowing to cool. [Beilstein 12 H 394, 12 IV 810.]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
[Signal word ]

Warning
[Hazard statements ]

H317-H361d-H373-H411
[Precautionary statements ]

P201-P202-P273-P280-P302+P352-P308+P313
[Hazard Codes ]

T
[Risk Statements ]

R25:Toxic if swallowed.
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2811 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

FE1225000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29309070
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Repr. 2
Skin Sens. 1
STOT RE 2
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits highly toxic fumes of SOx, and NOx,.
[Hazardous Substances Data]

102-08-9(Hazardous Substances Data)
[Toxicity]

MLD orally in rabbits: 1.5 g/kg (Hanzlik, Irvine)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Mercaptobenzothiazole-->1,3-Diphenylguanidine-->Phenyl isothiocyanate-->N-(2-hydroxy-5-methylphenyl)-N'-phenylthiourea-->Phenyl isocyanide dichloride-->Epithiochlorhydrin-->1,2,3-Triphenylguanidine-->4-Phenyl-3-thiosemicarbazide-->4-(Trifluoromethyl)phenyl isothiocyanate-->1-Methyl-3-phenyl-2-thiourea-->Indigo
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,3-Diphenyl-2-thiourea(102-08-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Diphenyl-2-thiourea(102-08-9)MS
1,3-Diphenyl-2-thiourea(102-08-9)1HNMR
1,3-Diphenyl-2-thiourea(102-08-9)13CNMR
1,3-Diphenyl-2-thiourea(102-08-9)IR1
1,3-Diphenyl-2-thiourea(102-08-9)IR2
1,3-Diphenyl-2-thiourea(102-08-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Thiocarbanilide, 98%(102-08-9)
[Alfa Aesar]

N,N'-Diphenylthiourea, 98%(102-08-9)
[Sigma Aldrich]

102-08-9(sigmaaldrich)
[TCI AMERICA]

1,3-Diphenyl-2-thiourea,>98.0%(T)(102-08-9)
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