ChemicalBook > CAS DataBase List > 5-METHYL-2,1,3-BENZOTHIADIAZOLE

5-METHYL-2,1,3-BENZOTHIADIAZOLE

Product Name
5-METHYL-2,1,3-BENZOTHIADIAZOLE
CAS No.
1457-93-8
Chemical Name
5-METHYL-2,1,3-BENZOTHIADIAZOLE
Synonyms
BUTTPARK 33\04-40;5-Methylpiazthiole;5-METHYL-2,1,3-BENZOTHIADIAZOLE;5-METHYLBENZO-2,1,3-THIADIAZOLE;5-methyl-benzo[1,2,5]thiadiazole;2,1,3-Benzothiadiazole, 5-methyl-;5-Methylbenzo[c][1,2,5]thiadiazole
CBNumber
CB0330127
Molecular Formula
C7H6N2S
Formula Weight
150.2
MOL File
1457-93-8.mol
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5-METHYL-2,1,3-BENZOTHIADIAZOLE Property

Melting point:
31-32°
Boiling point:
62 °C
Density 
1.297±0.06 g/cm3 (20 ºC 760 Torr)
Flash point:
92.6±9.1℃
storage temp. 
Sealed in dry,Room Temperature
pka
0.59±0.47(Predicted)
Appearance
Light yellow to yellow Solid-Liquid Mixture
CAS DataBase Reference
1457-93-8
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Safety

Hazard Note 
Harmful
HazardClass 
IRRITANT
HS Code 
2934999090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H314Causes severe skin burns and eye damage

H318Causes serious eye damage

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

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.

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P363Wash contaminated clothing before reuse.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Apolloscientific
Product number
OR26809
Product name
5-Methyl-2,1,3-benzothiadiazole
Packaging
250mg
Price
$24
Updated
2021/12/16
AK Scientific
Product number
4428AD
Product name
5-Methyl-2,1,3-benzothiadiazole
Packaging
250mg
Price
$25
Updated
2021/12/16
SynQuest Laboratories
Product number
7H70-1-W5
Product name
5-Methyl-2,1,3-benzothiadiazole
Packaging
250mg
Price
$26
Updated
2021/12/16
Matrix Scientific
Product number
047293
Product name
5-Methyl-2,1,3-benzothiadiazole
Purity
>95%
Packaging
500mg
Price
$47
Updated
2021/12/16
Matrix Scientific
Product number
047293
Product name
5-Methyl-2,1,3-benzothiadiazole
Purity
>95%
Packaging
1g
Price
$72
Updated
2021/12/16
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5-METHYL-2,1,3-BENZOTHIADIAZOLE Chemical Properties,Usage,Production

Definition

ChEBI: 5-Methyl-2,1,3-benzothiadiazole is a benzothiadiazole.

Synthesis

496-72-0

1457-93-8

(1) To a 250 mL three-neck flask was added 4-methylbenzene-1,2-diamine (3.75 g, 30 mmol) and dichloromethane (60 mL) followed by trimethylamine (13.14 g, 130 mmol). The mixture was stirred until 4-methylbenzene-1,2-diamine was completely dissolved. Under stirring, sulfurous dichloride (11.47 g, 100 mmol) was slowly added dropwise and then the reaction mixture was heated to reflux for 5 hours. Upon completion of the reaction, the reaction was quenched with 1 mol/L sodium hydroxide solution and subsequently extracted with dichloromethane (30 mL x 3). The organic phases were combined and concentrated by rotary evaporator. The crude product was purified by silica gel column chromatography using petroleum ether as eluent to afford brown needle-like crystals of 5-methyl-2,1,3-benzothiadiazole (3.69 g, 82% yield). The product characterization data were as follows: melting point 33-34 °C; 1H NMR (CDCl3, 400 MHz, TMS): δ 7.88 (d, 1H, J = 9 Hz), 7.76 (s, 1H), 7.43 (d, 1H, J = 9 Hz), 2.55 (s, 3H); 13C NMR (CDCl3, 100 MHz, TMS): δ 155.31, 153.54, 139.94, 132.41, 120.66, 119.76, 21.91; EIMS [M+]: calculated value 150.0252, measured value 150.0251.

References

[1] Tetrahedron, 2016, vol. 72, # 9, p. 1244 - 1248
[2] Tetrahedron, 2017, vol. 73, # 19, p. 2824 - 2830
[3] Journal of Polymer Science, Part A: Polymer Chemistry, 2016, vol. 54, # 5, p. 668 - 677
[4] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 4, p. 657 - 667
[5] Chemische Berichte, 1889, vol. 22, p. 2897

5-METHYL-2,1,3-BENZOTHIADIAZOLE Preparation Products And Raw materials

Raw materials

Ethanol Acetone Toluene Aniline Hydrochloric acid 3,4-Diaminotoluene Thionyl chloride

Preparation Products

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1457-93-8, 5-METHYL-2,1,3-BENZOTHIADIAZOLERelated Search:

5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE METHYL 2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLATE 5,6-DIMETHYLBENZO-2,1,3-THIADIAZOLE 5-METHYL-2,1,3-BENZOTHIADIAZOLE 4-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE 4-METHYL-2,1,3-BENZOTHIADIAZOLE METHYL 1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLATE 2,1,3-Benzothiadiazole 3-(2,1,3-BENZOTHIADIAZOL-5-YL) ALANINE 5-(TRIFLUOROMETHYL)BENZO-[2,1,3]-THIADIAZOLE 5-(METHOXYMETHYL)-2-FURALDEHYDE 5-METHYL-4-NITRO-2,1,3-BENZOTHIADIAZOLE 5-METHYL-BENZO[1,2,5]THIADIAZOL-4-YLAMINE 6-BROMO-4,5-DIMETHYL-2,1,3-BENZOTHIADIAZOLE 5-METHYL-2,1,3-BENZOTHIADIAZOLE-4-SULFONYL CHLORIDE 5-CHLORO-6-METHYL-2,1,3-BENZOTHIADIAZOLE N-(5-METHYL-2,1,3-BENZOTHIADIAZOL-4-YL)ACETAMIDE 1-(2,1,3-BENZOTHIADIAZOL-5-YLMETHYL)PYRIDINIUM BROMIDE

  • BUTTPARK 33\04-40
  • 5-METHYLBENZO-2,1,3-THIADIAZOLE
  • 5-METHYL-2,1,3-BENZOTHIADIAZOLE
  • 5-methyl-benzo[1,2,5]thiadiazole
  • 5-Methylpiazthiole
  • 5-Methylbenzo[c][1,2,5]thiadiazole
  • 2,1,3-Benzothiadiazole, 5-methyl-
  • 1457-93-8