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| CAS No.: | 536-40-3 |
|---|---|
| Name: | 4-CHLOROBENZHYDRAZIDE |
| Molecular Structure: | |
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| Formula: | C7H7ClN2O |
| Molecular Weight: | 170.598 |
| Synonyms: | Benzoicacid, p-chloro-, hydrazide (6CI,7CI,8CI);4-Chlorobenzenecarboxylic acid hydrazide;4-Chlorobenzoic acid hydrazide;NSC 54990;p-Chlorobenzoic acid hydrazide;p-Chlorobenzoichydrazide; |
| EINECS: | 208-632-0 |
| Density: | 1.323 g/cm3 |
| Melting Point: | 162-165 °C(lit.) |
| Boiling Point: | 334.6 °C at 760 mmHg |
| Flash Point: | 156.2 °C |
| Appearance: | white to light beige crystals |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
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Specification
The Benzoic acid,4-chloro-, hydrazide, with the CAS registry number 536-40-3 and EINECS registry number 208-632-0, has the systematic name of 4-chlorobenzohydrazide. And the molecular formula of this chemical is C7H7ClN2O. It is a kind of white to light beige crystals or flakes, and belongs to the following product categories: Blocks; Carboxes; Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Chlorine Compounds; Carbonyl Compounds; Hydrazides; Organic Building Blocks.
The physical properties of Benzoic acid,4-chloro-, hydrazide are as following: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.17; (6)ACD/BCF (pH 7.4): 4.18; (7)ACD/KOC (pH 5.5): 96.59; (8)ACD/KOC (pH 7.4): 96.88; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 43.67 cm3; (15)Molar Volume: 128.9 cm3; (16)Polarizability: 17.31×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.323 g/cm3; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 60.97 kJ/mol; (21)Boiling Point: 334.6 °C at 760 mmHg; (22)Vapour Pressure: 4.99E-05 mmHg at 25°C.
Preparation of Benzoic acid,4-chloro-, hydrazide: This chemical can be prepared by 4-chloro-benzoic acid ethyl ester. The reaction will need reagents absolute alcohol and aqueous hydrazine hydrate.
Uses of Benzoic acid,4-chloro-, hydrazide: It can react with benzaldehyde to produce 4-chloro-benzoic acid benzylidenehydrazide. This reaction will need solvent ethanol. The reaction time is 2.5 hours with heating, and the yield is about 62%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)NN
(2)InChI: InChI=1/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
(3)InChIKey: PKBGHORNUFQAAW-UHFFFAOYAD