CAS No.1576-35-8,4-Methylbenzenesulfonhydrazide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1576-35-8
Name:	4-Methylbenzenesulfonhydrazide
Article Data:	120

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

Synthetic route

: 104-15-4
toluene-4-sulfonic acid

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

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

: 98-59-9
p-toluenesulfonyl chloride

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

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%

: 260788-12-3
tert-butyl 2-tosylhydrazine-1-carboxylate

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

Conditions	Yield
With trifluoroacetic acid for 0.5h;	78%

: 151416-59-0
dimethyl 4-amino-1-(p-toluenesulfonyl)pyrazolo<3,4-b>pyridine-5,6-dicarboxylate

A: 1576-35-8
toluene-4-sulfonic acid hydrazide

B: 4-amino-1H-pyrazolo<4',3':5,6>pyrido<2,3-d>pyridazine-5,8(6H,7H)-dione

Conditions

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%

: 64-17-5
ethanol

: 98-59-9
p-toluenesulfonyl chloride

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

Conditions	Yield
With hydrazine at 21℃; Rate constant;

: 7803-57-8
hydrazine hydrate

: 98-59-9
p-toluenesulfonyl chloride

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

Conditions	Yield
With water; benzene

: 1666-17-7
(E)-N′-benzylidene-4-methylbenzenesulfonohydrazide

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

Conditions	Yield
With water In phosphate buffer; ethanol at 25℃; pH=2.47; Kinetics; Further Variations:; pH-values;

: 1666-17-7
(E)-N′-benzylidene-4-methylbenzenesulfonohydrazide

A: 100-52-7
benzaldehyde

B: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

Conditions	Yield
With water In ethanol for 3.8h; pH=2.47; Rate constant; Phosphoric acid buffer;

: 62460-99-5
(E)-4-methyl-N′-(1-phenylethylidene)benzenesulfonohydrazide

A: 98-86-2
acetophenone

B: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

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;

: 2232-08-8
N-tosylimidazole

: 1576-35-8
toluene-4-sulfonic acid hydrazide

Conditions

Conditions	Yield
With hydrazine hydrate for 0.0166667h; Sonication;

Raw Materials

98-59-9

64-17-5

Downstream Products

591-49-1

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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.

Benzenesulfonic acid,4-methyl-, hydrazide can be prepared by hydrazine hydrate and ptoluenesulfonyl chloride at the ambient temperature

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%.

Benzenesulfonic acid,4-methyl-, hydrazide can be used to produce cyclohexanone (toluene-4-sulfonyl)-hydrazone at the ambient temperature

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.

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