CAS No.112225-87-3,1,2-DIBENZOYL-1-(T-BUTYL)HYDRAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112225-87-3
Name:	1,2-DIBENZOYL-1-(T-BUTYL)HYDRAZINE
Article Data:	9

Formula:	C₁₈H₂₀N₂O₂
Molecular Weight:	296.369
Synonyms:	1,2-Dibenzoyl-1-(tert-butyl)hydrazine;Benzoic acid N-benzoyl-N-tert-butylhydrazide;RH 5849;RH 5849-2F;
Density:	1.128 g/cm³
Melting Point:	178.5 °C
PSA:	49.41000
LogP:	3.66320

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Specification

The Benzoic acid,2-benzoyl-1-(1,1-dimethylethyl)hydrazide, with its CAS registry number 112225-87-3, has the IUPAC name of N'-benzoyl-N'-tert-butylbenzohydrazide. And it has the molecular formula of C₁₈H₂₀N₂O₂ and the molecular weight of 296.36. When store it, keep this chemical in the dry, well-ventilated place at RT. When comes to its usage, it is often used to prevent rice longitudinal foliaceous pest, twill night moth and others.

The characteristics of Benzoic acid,2-benzoyl-1-(1,1-dimethylethyl)hydrazide are as follows: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.74; (6)ACD/BCF (pH 7.4): 34.73; (7)ACD/KOC (pH 5.5): 441.08; (8)ACD/KOC (pH 7.4): 440.93; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 87.06 cm³; (15)Molar Volume: 262.5 cm³; (16)Polarizability: 34.51×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.128 g/cm³; (19)Exact Mass: 296.152478; (20)MonoIsotopic Mass: 296.152478; (21)Topological Polar Surface Area: 49.4; (22)Heavy Atom Count: 22; (23)Complexity: 388; (24)Covalently-Bonded Unit Count: 1; (25)Feature 3D Acceptor Count: 2; (26)Feature 3D Donor Count: 1; (27)Feature 3D Hydrophobe Count: 1; (28)Feature 3D Ring Count: 2.

Production method of this chemical: Benzoyl chloride could react with tert-butyl-hydrazine; hydrochloride to produce benzoic acid,2-benzoyl-1-(1,1-dimethylethyl)hydrazide. And this reaction could happen in the reagent of aq. sodium hydroxide at 0 °C for 2 hours.

Use of this chemical: Carbonyl dichloride could react with benzoic acid,2-benzoyl-1-(1,1-dimethylethyl)hydrazide to produce 3-benzoyl-5-phenyl-3H-[1,3,4]oxadiazol-2-one, and this reaction could happen in the reagent of tBuOK and the solvent of tetrahydrofuran & ethyl acetate with the reaction temperature of 20-78 °C.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)
(3)InChIKey: NISLLQUWIJASOV-UHFFFAOYSA-N