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| CAS No.: | 5584-15-6 |
|---|---|
| Name: | (2-Amino-5-chlorobenzoyl)hydrazide |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H8ClN3O |
| Molecular Weight: | 185.613 |
| Synonyms: | Anthranilicacid, 5-chloro-, hydrazide (7CI,8CI);2-Amino-5-chlorobenzoic acid hydrazide;5-Chloroanthranilic acid hydrazide;benzoic acid, 2-amino-5-chloro-, hydrazide;2-amino-5-chlorobenzene-1-carbohydrazide; |
| Density: | 1.414 g/cm3 |
| Melting Point: | 138-142 °C |
| Boiling Point: | 452.6°C at 760 mmHg |
| Flash Point: | 227.5°C |
| Appearance: | off-white crystalline powder |
| Safety: | 24/25 |
| PSA: | 81.14000 |
| LogP: | 2.19810 |
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- Total:10 Page 1 of 1 1
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Specification
The Benzoic acid,2-amino-5-chloro-, hydrazide, with the CAS registry number 5584-15-6, has the systematic name of 2-amino-5-chlorobenzohydrazide. It is a kind of off-white crystalline powder, and the molecular formula of the chemical is C7H8ClN3O. What's more, while dealing with this chemical, you should try to avoid contacting with skin and eyes.
The characteristics of Benzoic acid,2-amino-5-chloro-, hydrazide are as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.23; (6)ACD/BCF (pH 7.4): 3.26; (7)ACD/KOC (pH 5.5): 80.43; (8)ACD/KOC (pH 7.4): 81.06; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 47.9 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 18.99×10-24cm3; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.414 g/cm3.
Uses of Benzoic acid,2-amino-5-chloro-, hydrazide: It can react with benzamidine hydrochloride hydrate to produce 4-chloro-2-(5-phenyl-1H-[1,2,4]triazol-3-yl)-phenylamine. This reaction will need reagent ethanol, and the catalyst sodium methoxide. The reaction time is 48 hours with heating, and the yield is about 73%.
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Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(C(=O)NN)c(N)cc1
(2)InChI: InChI=1/C7H8ClN3O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,9-10H2,(H,11,12)
(3)InChIKey: CYDGREISJRDSDE-UHFFFAOYAL