Specification: |
The IUPAC name of 3,4-Dichlorobenzene-1-carbohydrazide is 3,4-Dichlorobenzohydrazide. With the CAS registry number 28036-91-1, it is also named as Benzoic acid,3,4-dichloro-, hydrazide. The product's categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. In addition, its molecular formula is C7H6Cl2N2O and its molecular weight is 205.04.
The other characteristics of 3,4-Dichlorobenzene-1-carbohydrazide can be summarized as: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.16; (6)ACD/BCF (pH 7.4): 17.19; (7)ACD/KOC (pH 5.5): 266.09; (8)ACD/KOC (pH 7.4): 266.63; (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: 1.605; (14)Molar Refractivity: 48.56 cm3; (15)Molar Volume: 140.8 cm3; (16)Polarizability: 19.25×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.455 g/cm3; (19)Melting Point: 154 °C.
When you are using this chemical, please be cautious about it as the following: this chemical is irritating to eyes, respiratory system and skin. Please wear suitable gloves and eye / face protection. Besides, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccc(C(=O)NN)cc1Cl
(2)InChI:InChI=1/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
(3)InChIKey:VEDIADQJSGNNQE-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
(5)Std. InChIKey:VEDIADQJSGNNQE-UHFFFAOYSA-N
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