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

Preparation Products

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

SIGMA-RBI
Tel
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Fax
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Country
Switzerland
ProdList
6896
Advantage
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