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CAS No.: | 51011-54-2 |
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Name: | 1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H6ClN3S |
Molecular Weight: | 199.664 |
Synonyms: | 6-Chloro-2-hydrazinyl-1,3-benzothiazole;Benzothiazole, 6-chloro-2-hydrazinyl-; |
EINECS: | 604-604-1 |
Density: | 1.599 g/cm3 |
Melting Point: | 263 °C |
Boiling Point: | 361.293 °C at 760 mmHg |
Flash Point: | 172.304 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
PSA: | 79.18000 |
LogP: | 3.00860 |
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The 1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine, with the CAS registry number 51011-54-2, is also known as Benzothiazole, 6-chloro-2-hydrazinyl-. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C7H6ClN3S and molecular weight is 199.66. What's more, its systematic name is 6-chloro-2-hydrazinyl-1,3-benzothiazole.
Physical properties of 1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.188; (4)ACD/LogD (pH 7.4): 2.211; (5)ACD/BCF (pH 5.5): 26.739; (6)ACD/BCF (pH 7.4): 28.201; (7)ACD/KOC (pH 5.5): 360.178; (8)ACD/KOC (pH 7.4): 379.865; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 79.18 Å2; (13)Index of Refraction: 1.813; (14)Molar Refractivity: 53.978 cm3; (15)Molar Volume: 124.83 cm3; (16)Polarizability: 21.399×10-24cm3; (17)Surface Tension: 79.226 dyne/cm; (18)Density: 1.599 g/cm3; (19)Flash Point: 172.304 °C; (20)Enthalpy of Vaporization: 60.71 kJ/mol; (21)Boiling Point: 361.293 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)sc(n2)NN
(2)InChI: InChI=1S/C7H6ClN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
(3)InChIKey: JBAIRAQEQLLZMN-UHFFFAOYSA-N