Name: 4-tert-Butylbenzhydrazide
SKU: 43100-38-5

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Basic Information

Molecular Structure:
CAS No.:	43100-38-5
Name:	4-tert-Butylbenzhydrazide
Article Data:	42

Formula:	C₁₁H₁₆N₂O
Molecular Weight:	192.261
Synonyms:	Benzoicacid, p-tert-butyl-, hydrazide (6CI);(p-tert-Butylbenzoyl)hydrazine;4-(1,1-Dimethylethyl)benzoic acid hydrazide;4-tert-Butylbenzhydrazide;4-tert-Butylbenzohydrazide;4-tert-Butylbenzoic acid hydrazide;4-tert-Butylbenzoic hydrazide;4-tert-Butylbenzoyl hydrazide;4-tert-Butylbenzoylhydrazine;p-tert-Butylbenzoic acid hydrazide;
EINECS:	256-090-9
Density:	1.046 g/cm³
Melting Point:	120-127 °C(lit.)
Appearance:	white to light beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	55.12000
LogP:	2.67880

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Specification

This chemical is called Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide, and its systematic name is 4-tert-butylbenzohydrazide. With the molecular formula of C₁₁H₁₆N₂O, its molecular weight is 192.26. The CAS registry number of this chemical is 43100-38-5. Additionally, its product categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Benzenes; Carbonyl Compounds; Organic Building Blocks.

Other characteristics of the Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide can be summarised as followings: (1)ACD/LogP: 1.94; (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): 17.32; (6)ACD/BCF (pH 7.4): 17.4; (7)ACD/KOC (pH 5.5): 267.67; (8)ACD/KOC (pH 7.4): 268.89; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 57.16 cm³; (15)Molar Volume: 183.6 cm³; (16)Polarizability: 22.66×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.046 g/cm³.

Uses of this chemical: The Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide could react with 5-iodo-isophthaloyl dichloride, and obtain the 5-Iodoisophthalic acid bis[2-(4-tert-butylbenzoyl)hydrazide]. This reaction needs the solvent of various solvent(s). The yield is 96 %. In addition, this reaction should be taken for 2 days at the temperature of 20 °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. You should wear suitable protective clothing to avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(cc1)C(C)(C)C)NN
2.InChI: InChI=1/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
3.InChIKey: XYUFQWDLRLHUPB-UHFFFAOYAQ