5-Chloro-6-methyl-2,1,3-benzothiadiazole

Base Information

• Chemical Name: 5-Chloro-6-methyl-2,1,3-benzothiadiazole
• CAS No.: 50636-02-7
• Molecular Formula: C₇H₅ClN₂S
• Molecular Weight: 184.649
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80381788
• Wikidata: Q82172844
• Mol file: 50636-02-7.mol

Synonyms:5-chloro-6-methyl-2,1,3-benzothiadiazole;50636-02-7;5-Chloro-6-methylbenzo[c][1,2,5]thiadiazole;HMS558E17;Maybridge1_005913;SCHEMBL8807216;DTXSID80381788;CCG-40745;FT-0620304;SR-01000630867-1

Chemical Property of 5-Chloro-6-methyl-2,1,3-benzothiadiazole

Chemical Property:

• Vapor Pressure: 0.0138mmHg at 25°C
• Melting Point: 85 °C
• Boiling Point: 266.9°C at 760 mmHg
• Flash Point: 115.2°C
• PSA: 54.02000
• Density: 1.445g/cm³
• LogP: 2.65310
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.9861970
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

5-CHLORO-6-METHYL-2,1,3-BENZOTHIADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=NSN=C2C=C1Cl

Technology Process of 5-Chloro-6-methyl-2,1,3-benzothiadiazole

There total 2 articles about 5-Chloro-6-methyl-2,1,3-benzothiadiazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-chloro-5-methyl-benzene-1,2-diamine; monohydrochloride (149689-78-1) → 5-Chlor-6-methyl-2,1,3-benzothiadiazol (50636-02-7)

Guidance literature:

With thionyl chloride;

Reference yield:

→ 5-Chlor-6-methyl-2,1,3-benzothiadiazol (50636-02-7)

Guidance literature:

/BRN= 72489/, SCl2 (oder S2Cl2 ?);

Reference yield:

5-Chlor-6-methyl-2,1,3-benzothiadiazol (50636-02-7) → 5-bromomethyl-6-chloro-benzo[1,2,5]thiadiazole (65858-51-7)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

upstream raw materials:

4-chloro-5-methyl-benzene-1,2-diamine; monohydrochloride

Downstream raw materials:

5-bromomethyl-6-chloro-benzo[1,2,5]thiadiazole

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