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| CAS No.: | 3619-22-5 |
|---|---|
| Name: | P-TOLUIC HYDRAZIDE |
| Molecular Structure: | |
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| 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%.
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%.
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