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CAS No.: | 20358-00-3 |
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Name: | 2-AMINO-5-CHLOROBENZOTHIAZOLE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H5ClN2S |
Molecular Weight: | 184.649 |
Synonyms: | Benzothiazole,2-amino-5-chloro- (6CI,8CI);2-Amino-5-chlorobenzothiazole;5-Chloro-2-aminobenzothiazole;5-Chloro-2-benzothiazolylamine;NSC 44454;NSC56970; |
Density: | 1.533 g/cm3 |
Melting Point: | 199.0 to 203.0 °C |
Boiling Point: | 344.283 °C at 760 mmHg |
Flash Point: | 162.017 °C |
PSA: | 67.15000 |
LogP: | 3.11310 |
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The cas register number of 2-Amino-5-chlorobenzothiazole is 20358-00-3. It also can be called as 5-Chlorobenzo[d]thiazol-2-amine and the IUPAC Name about this chemical is 5-chloro-1,3-benzothiazol-2-amine. It belongs to the Benzothiazole.
Physical properties about 2-Amino-5-chlorobenzothiazole are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.567; (3)ACD/LogD (pH 7.4): 2.571; (4)ACD/BCF (pH 5.5): 52.511; (5)ACD/BCF (pH 7.4): 52.954; (6)ACD/KOC (pH 5.5): 591.446; (7)ACD/KOC (pH 7.4): 596.439; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 67.15 ?2; (11)Index of Refraction: 1.763; (12)Molar Refractivity: 49.702 cm3; (13)Molar Volume: 120.483 cm3; (14)Polarizability: 19.703x10-24cm3; (15)Surface Tension: 71.308 dyne/cm; (16)Enthalpy of Vaporization: 58.823 kJ/mol; (17)Boiling Point: 344.283 °C at 760 mmHg.
Preparation: this chemical can be prepared by 5-chloro-2-iodo-aniline and thiourea. This reaction will need reagent NiCl2(PEt3)2/NaBH3CN and dimethylformamide. The reaction time is 20 hour(s) with reaction temperature of 60 ℃. The yield is about 94%.
Uses of 2-Amino-5-chlorobenzothiazole: it can be used to produce 2-chloro-N-(5-chloro-benzothiazol-2-yl)-acetamide with chloroacetyl chloride at temperature of 10 - 30 ℃. This reaction is a kind of Acylation. It will need solvent acetic acid. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)nc(s2)N
(2)InChI: InChI=1/C7H5ClN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
(3)InChIKey: AVVSRALHGMVQQW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H5ClN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
(5)Std. InChIKey: AVVSRALHGMVQQW-UHFFFAOYSA-N