2,1,3-Benzothiadiazol-5-amine
-
2,1,3-Benzothiadiazol-5-amine
structure -
-
CAS No:
874-37-3
-
Formula:
C6H5N3S
-
Chemical Name:
2,1,3-Benzothiadiazol-5-amine
-
CAS No:
Safety Information
IRRITANT
36/37/38
26-36/37/39
Xi
Harmful
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,1,3-Benzothiadiazol-5-amine Use and Manufacturing
compound 16 (2g, 11.04mmol) and a solution of NH4Cl (2.34 g, 44.20 mmol) in ethanol and water (2:1, 3 mL) was placed in a 90 ° C oil bath and refluxed for 30 min, then iron powder (2.47 g, 44.20 mmol) was added.The reaction was further stirred under reflux for 3 h, and after the reaction was completely monitored, the mixture was filtered with hot water and the residue was washed with ethanol.The filtrate was neutralized with saturated NaHCO3 and extracted with ethyl acetate.Dry over anhydrous sodium sulfate and concentrate to give compound 17 (1.5 g, yield: 90.3percent).B.
Computed Properties
Molecular Weight:151.19
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:151.02041835
Monoisotopic Mass:151.02041835
Topological Polar Surface Area:80
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
