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3619-22-5

Basic Information
CAS No.: 3619-22-5
Name: P-TOLUIC HYDRAZIDE
Article Data: 196
Molecular Structure:
Molecular Structure of 3619-22-5 (P-TOLUIC HYDRAZIDE)
Formula: C8H10N2O
Molecular Weight: 150.18
Synonyms: p-Toluicacid, hydrazide (6CI,7CI,8CI);(4-Methylbenzoyl)hydrazine;4-Methylbenzenecarboxylic acid hydrazide;4-Methylbenzhydrazide;4-Methylbenzohydrazide;4-Methylbenzoic acid hydrazide;4-Methylbenzoichydrazide;4-Methylbenzoylhydrazide;4-Toluic acid hydrazide;4-Toluichydrazide;NSC 61567;p-Methylbenzohydrazide;p-Methylbenzoic acid hydrazide;p-Methylbenzoyl hydrazide;p-Methylbenzoylhydrazine;p-Toluic hydrazide;p-Toluoylhydrazine;
EINECS: 222-815-2
Density: 1.127 g/cm3
Melting Point: 116-118 °C(lit.)
Boiling Point: 271.72°C (rough estimate)
Solubility: Water solubility: 1.84E+04 mg/L
Appearance: White to slightly brown crystalline powder
Hazard Symbols: Xn
Risk Codes: 36/37/38
Safety: 24/25
PSA: 55.12000
LogP: 1.68970
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Specification

The Benzoic acid,4-methyl-, hydrazide, with the CAS registry number 3619-22-5, is also known as 4-Methylbenzenecarboxylic acid hydrazide. Its EINECS number is 222-815-2 and its systematic name is 4-Methylbenzohydrazide. This chemical's molecular formula is C8H10N2O and molecular weight is 150.18. What's more, it belongs to the product categories of Amide; Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Carbonyl Compounds; Hydrazides; Organic Building Blocks. The product is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. It is irritating to eyes, respiratory system and skin. When using it, you need avoid contact with skin and eyes.

Physical properties of Benzoic acid,4-methyl-, hydrazide are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.02; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 57.48; (8)ACD/KOC (pH 7.4): 57.73; (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: 1.568; (14)Molar Refractivity: 43.6 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 17.28×10-24 cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.127 g/cm3.

Preparation: this chemical can be prepared by 4-methyl-benzoic acid methyl ester at the ambient temperature. This reaction will need reagent 35 percent aq. hydrazine and the yield is about 56%.

Benzoic acid,4-methyl-, hydrazide can be prepared by 4-methyl-benzoic acid methyl ester at the ambient temperature

Uses of Benzoic acid,4-methyl-, hydrazide: it can be used to produce N,N'-di-p-toluoyl-hydrazine at the ambient temperature. It will need reagent PhI(OAc)2 with the reaction time of 10 min. The yield is about 71%.

Benzoic acid,4-methyl-, hydrazide can be used to produce N,N'-di-p-toluoyl-hydrazine at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C(=O)NN
(2)InChI: InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
(3)InChIKey: MFFVZXOPRXMVET-UHFFFAOYSA-N