Diazenecarboxylic acid,2-phenyl-, 2-phenylhydrazide (538-62-5)

The IUPAC name of 1,5-Diphenylcarbazone is 1-anilino-3-phenyliminourea. With the CAS registry number 538-62-5, it is also named as Phenyldiazenecarboxylic acid 2-phenylhydrazide. The product's categories are pharmaceutical intermediates; aromatic hydrazides, hydrazines, hydrazones and oximes. It is orange powder which is soluble in alcohol, chloroform and benzene, insoluble in water. 1,5-Diphenylcarbazone should be sealed in the container which must be placed in a cool, well-ventilated area. And do not store above 24°C (75.2°F). In addition, it is obtained by the condensation of phenylhydrazine and urea, and then oxidation by hydrogen peroxide.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.4; (6)ACD/BCF (pH 7.4): 229.57; (7)ACD/KOC (pH 5.5): 1708.66; (8)ACD/KOC (pH 7.4): 1702.51; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 70.42 cm³; (14)Molar Volume: 201 cm³; (15)Polarizability: 27.91×10^-24 cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Rotatable Bond Count: 3; (18)Tautomer Count: 2; (19)Exact Mass: 240.101111; (20)MonoIsotopic Mass: 240.101111; (21)Topological Polar Surface Area: 65.8; (22)Heavy Atom Count: 18.

Uses of 1,5-Diphenylcarbazone: It is used to test cadmium, chromium, copper, iron, mercury, molybdenum, lead and zinc. And it is also used as analytical reagents, chromatography reagents, indicators and complex adsorption indicator.

When you are using this chemical, please be cautious about it as the following:
People should not breathe dust and avoid contact with skin and eyes. If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. And get medical attention. Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(NNc1ccccc1)\N=N/c2ccccc2;
2. InChI: InChI=1/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)/b17-15-.

The following are the toxicity data which has been tested.

The IUPAC name of 1,5-Diphenylcarbazone is 1-anilino-3-phenyliminourea. With the CAS registry number 538-62-5, it is also named as Phenyldiazenecarboxylic acid 2-phenylhydrazide. The product's categories are pharmaceutical intermediates; aromatic hydrazides, hydrazines, hydrazones and oximes. It is orange powder which is soluble in alcohol, chloroform and benzene, insoluble in water. 1,5-Diphenylcarbazone should be sealed in the container which must be placed in a cool, well-ventilated area. And do not store above 24°C (75.2°F). In addition, it is obtained by the condensation of phenylhydrazine and urea, and then oxidation by hydrogen peroxide.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.4; (6)ACD/BCF (pH 7.4): 229.57; (7)ACD/KOC (pH 5.5): 1708.66; (8)ACD/KOC (pH 7.4): 1702.51; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 70.42 cm³; (14)Molar Volume: 201 cm³; (15)Polarizability: 27.91×10^-24 cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Rotatable Bond Count: 3; (18)Tautomer Count: 2; (19)Exact Mass: 240.101111; (20)MonoIsotopic Mass: 240.101111; (21)Topological Polar Surface Area: 65.8; (22)Heavy Atom Count: 18.

Uses of 1,5-Diphenylcarbazone: It is used to test cadmium, chromium, copper, iron, mercury, molybdenum, lead and zinc. And it is also used as analytical reagents, chromatography reagents, indicators and complex adsorption indicator.

When you are using this chemical, please be cautious about it as the following:
People should not breathe dust and avoid contact with skin and eyes. If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. And get medical attention. Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(NNc1ccccc1)\N=N/c2ccccc2;
2. InChI: InChI=1/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)/b17-15-.

The following are the toxicity data which has been tested.