ChemicalBook > CAS DataBase List > 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL

5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL

Product Name: 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
CAS No.: 3004-42-0
Chemical Name: 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
Synonyms: HA-43;AKOS TOT-0317;AKOS TOT-0338;ASISCHEM Y91601;ASISCHEM Y67912;AKOS BBS-00007238;RARECHEM BG FB 0043;CHEMBRDG-BB 4012406;2-Phenyl-5-mercaptooxadiazole.;4-oxadiazole-5-thiol,2-phenyl-3
CBNumber: CB6665650
Molecular Formula: C8H6N2OS
Formula Weight: 178.21
MOL File: 3004-42-0.mol

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5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Property

Melting point:: 219-222 °C(lit.)
Boiling point:: 247℃
Density: 1.38
refractive index: 1.5690 (estimate)
Flash point:: 103℃
storage temp.: Sealed in dry,Room Temperature
pka: 4.31±0.70(Predicted)
form: solid
color: Pale grey
Water Solubility: Soluble in water.
CAS DataBase Reference: 3004-42-0(CAS DataBase Reference)
EPA Substance Registry System: 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl- (3004-42-0)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
RTECS: RO0829900
TSCA: Yes
HazardClass: IRRITANT
HS Code: 29349990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC

Product number: P320908
Product name: 5-Phenyl-1,3,4-oxadiazole-2-thiol
Packaging: 10g
Price: $155
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: JK111777
Product name: 5-Phenyl-1,3,4-oxadiazole-2-thiol
Purity: 98%
Packaging: 25g
Price: $204
Updated: 2021/12/16

Matrix Scientific

Product number: 036625
Product name: 5-Phenyl-1,3,4-oxadiazole-2-thiol
Packaging: 500mg
Price: $252
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: COR0003405
Product name: 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL
Purity: 95.00%
Packaging: 0.5G
Price: $460
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: COR0003405
Product name: 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL
Purity: 95.00%
Packaging: 1G
Price: $505
Updated: 2021/12/16

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5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Chemical Properties,Usage,Production

Chemical Properties

slightly yellow crystalline powder

Synthesis

75-15-0

613-94-5

3004-42-0

General procedure for the synthesis of 5-phenyl-1,3,4-oxadiazole-2-thione from carbon disulfide and benzoylhydrazine: a mixture of benzoylhydrazine (0.41 g, 3 mmol), potassium phosphate (1.02 g, 3 mmol) and carbon disulfide (0.23 g, 3 mmol) in water (15 mL) was stirred at room temperature for 10 minutes. The reaction mixture was then heated to reflux for 2 hours. After completion of the reaction, the pH was adjusted to 7 with 1N HCl, the precipitated solid was filtered and dried in vacuum to afford 5-phenyl-1,3,4-oxadiazole-2-thione (0.51 g, 96%) as a white solid. Melting point: 197-199°C (literature value: 199-201°C).1H NMR (400MHz, CDCl3) δ10.52 (broad single peak, 1H), 7.93 (double peak, J=7.2Hz, 2H), 7.42-7.65 (multiple peaks, 3H).

References

[1] Tetrahedron, 2012, vol. 68, # 38, p. 7978 - 7983
[2] Patent: CN105837523, 2016, A. Location in patent: Paragraph 0020; 0024
[3] Patent: , 2016, . Location in patent: Paragraph 0018
[4] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 3, p. 481 - 484
[5] Angewandte Chemie - International Edition, 2017, vol. 56, # 7, p. 1885 - 1889

5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL Preparation Products And Raw materials

Raw materials

Ethanol Benzoyl hydrazine Potassium hydroxide Carbon disulfide Hydrochloric acid

Preparation Products

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3004-42-0, 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOLRelated Search:

5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL 5-(2,4-DICHLOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE 5-(2-BROMOPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE 5-(3-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL 5-(4-METHYLPHENYL)-1 3 4-OXADIAZOLE-2-& SALOR-INT L121789-1EA SALOR-INT L121738-1EA 5-(4-NITROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE SALOR-INT L121762-1EA AKOS BBS-00007240 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(1-pi peridinylmethyl)- 1,3,4-Oxadiazole-2(3H)-thione, 3-(((3-chlorophenyl)amino)methyl)-5-(2- hydroxyphenyl)- AKOS BBS-00007242 SALOR-INT L121746-1EA 5-(4-(((2-Methoxyphenyl)(phenylazo)methylene)amino)phenyl)-1,3,4-oxadi azole-2(3H)-thione 5-(2-CHLOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE 5-(4-BROMOPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE

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