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CAS No.: | 1576-35-8 |
---|---|
Name: | 4-Methylbenzenesulfonhydrazide |
Article Data: | 120 |
Molecular Structure: | |
Formula: | C7H10N2O2S |
Molecular Weight: | 186.235 |
Synonyms: | p-Toluenesulfonylhydrazine;p-Tosyl hydrazide;Unifor H;p-Methylbenzenesulfonic acid hydrazide;p-Methylphenylsulfonylhydrazine;p-Toluenesulfonyl hydrazide;(4-Tolylsulfonyl)hydrazide;4-Methylbenzenesulfonicacid hydrazide;Cellmic H; |
EINECS: | 216-407-3 |
Density: | 1.298 g/cm3 |
Melting Point: | 103-108 °C(lit.) |
Boiling Point: | 340.5 °C at 760 mmHg |
Flash Point: | 159.7 °C |
Solubility: | water: 5 g/L (15 °C) |
Appearance: | white to off-white powder |
Hazard Symbols: | F,Xn |
Risk Codes: | 11-22-44 |
Safety: | 16 |
Transport Information: | UN 3226 4.1 |
PSA: | 80.57000 |
LogP: | 2.31900 |
Conditions | Yield |
---|---|
With carbazic acid In neat (no solvent) at 100℃; for 5h; Green chemistry; | 94% |
Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 0.01 h / 20 °C / Sonication 2: hydrazine hydrate / 0.02 h / Sonication View Scheme |
Conditions | Yield |
---|---|
With hydrazine hydrate In tetrahydrofuran; water at 0 - 20℃; | 92% |
With hydrazine hydrate In tetrahydrofuran; water at 5℃; | 92% |
With hydrazine hydrate In dichloromethane for 0.25h; | 92% |
tert-butyl 2-tosylhydrazine-1-carboxylate
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With trifluoroacetic acid for 0.5h; | 78% |
dimethyl 4-amino-1-(p-toluenesulfonyl)pyrazolo<3,4-b>pyridine-5,6-dicarboxylate
A
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol 1.) reflux, 2 h, 2.) from 150 deg C to 200 deg C, 20 min.; | A n/a B 76% |
Conditions | Yield |
---|---|
With hydrazine at 21℃; Rate constant; |
hydrazine hydrate
p-toluenesulfonyl chloride
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With water; benzene |
(E)-N′-benzylidene-4-methylbenzenesulfonohydrazide
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With water In phosphate buffer; ethanol at 25℃; pH=2.47; Kinetics; Further Variations:; pH-values; |
(E)-N′-benzylidene-4-methylbenzenesulfonohydrazide
A
benzaldehyde
B
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With water In ethanol for 3.8h; pH=2.47; Rate constant; Phosphoric acid buffer; |
(E)-4-methyl-N′-(1-phenylethylidene)benzenesulfonohydrazide
A
acetophenone
B
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With water In ethanol pH=2.47; Rate constant; Phosphoric acid buffer; | |
With water In ethanol pH=4.48; Rate constant; Citric acid buffer; |
Conditions | Yield |
---|---|
With hydrazine hydrate for 0.0166667h; Sonication; |
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The Benzenesulfonic acid,4-methyl-, hydrazide, with the CAS registry number 1576-35-8, is also known as p-Toluenesulfonylhydrazine. It belongs to the product category of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. Its EINECS number is 216-407-3. This chemical's molecular formula is C7H10N2O2S and molecular weight is 186.23. What's more, its systematic name is 4-methylbenzenesulfonohydrazide. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides and heat. It is used in organic synthesis. It is also used as foaming agent.
Physical properties of Benzenesulfonic acid,4-methyl-, hydrazide are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 35.57; (8)ACD/KOC (pH 7.4): 35.22; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 47.46 cm3; (15)Molar Volume: 143.4 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 159.7 °C; (20)Enthalpy of Vaporization: 58.41 kJ/mol; (21)Boiling Point: 340.5 °C at 760 mmHg; (22)Vapour Pressure: 8.55E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by hydrazine hydrate and ptoluenesulfonyl chloride at the ambient temperature. This reaction will need reagent sulfuric acid.
Uses of Benzenesulfonic acid,4-methyl-, hydrazide: it can be used to produce cyclohexanone (toluene-4-sulfonyl)-hydrazone at the ambient temperature. It will need solvent hexane with the reaction time of 2 hours. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful if swallowed. Moreover, it has a risk of explosion if heated under confinement.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NN
(2)Std. InChI: InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
(3)Std. InChIKey: ICGLPKIVTVWCFT-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | Russian Pharmacology and Toxicology Vol. 36, Pg. 27, 1973. | |
rat | LD50 | oral | 283mg/kg (283mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | International Journal of Toxicology. Vol. 16. |