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Name |
Benzenesulfonyl hydrazide |
EINECS | 201-255-2 |
CAS No. | 80-17-1 | Density | 1.353 g/cm3 |
PSA | 80.57000 | LogP | 2.01060 |
Solubility | Insoluble in water | Melting Point |
101-103 °C(lit.) |
Formula | C6H8N2O2S | Boiling Point | 333.5 °C at 760 mmHg |
Molecular Weight | 172.208 | Flash Point | 155.5 °C |
Transport Information | UN 3226 4.1 | Appearance | white to pale yellow powder |
Safety | 15-16-22-24/25 | Risk Codes | 11 |
Molecular Structure | Hazard Symbols | F | |
Synonyms |
Benzenesulfonic acid, hydrazide;ChKhZ 9;N-Benzenesulfonylhydrazide;NSC 643;Nitropore OBSH;Phenylsulfohydrazide;Porofor-BSH-Pulver;Benzenesulfohydrazide; |
Article Data | 89 |
Conditions | Yield |
---|---|
With hydrazine hydrate In chloroform at 0℃; for 2h; | 98% |
With hydrazine hydrate In tetrahydrofuran at -8℃; for 0.5h; | 90% |
With hydrazine hydrate In dichloromethane for 0.25h; | 90% |
N-benzene sulfonyl-N'-carbo-tert-butoxy hydrazine
benzenesufonyl hydrazide
Conditions | Yield |
---|---|
With trifluoroacetic acid for 0.5h; | 84% |
With trifluoroacetic acid for 1h; Ambient temperature; Yield given; |
Conditions | Yield |
---|---|
With Δ In dimethyl sulfoxide at 110℃; Rate constant; Kinetics; Thermodynamic data; other temp.; Ea, ΔH(excit.), ΔS(excit.) ΔG(excit.); | A 42% B 18% |
Conditions | Yield |
---|---|
With hydrazine hydrate |
D-glucose-benzenesulfonylhydrazone
water
glucose
B
benzenesufonyl hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 0.01 h / 20 °C / Sonication 2: hydrazine hydrate / 0.02 h / Sonication View Scheme |
benzenesulfonic acid imidazolide
benzenesufonyl hydrazide
Conditions | Yield |
---|---|
With hydrazine hydrate for 0.0166667h; Sonication; |
7,7-dideuteriobicyclo<3.2.0>hept-2-en-6-one
benzenesufonyl hydrazide
Conditions | Yield |
---|---|
In methanol for 0.166667h; Heating; | 100% |
The Benzenesulfonic acid, hydrazide, with the CAS registry number 80-17-1, is also known as Phenylsulfonyl hydrazide. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 201-255-2. This chemical's molecular formula is C6H8N2O2S and molecular weight is 172.20. What's more, its systematic name is benzenesulfonohydrazide. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light and moisture. It is mainly used as foaming agent in the manufacturing of foam plastics and foam rubber.
Physical properties of Benzenesulfonic acid, hydrazide are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.99; (8)ACD/KOC (pH 7.4): 19.75; (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: 1.588; (14)Molar Refractivity: 42.84 cm3; (15)Molar Volume: 127.1 cm3; (16)Polarizability: 16.98×10-24cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 155.5 °C; (20)Enthalpy of Vaporization: 57.64 kJ/mol; (21)Boiling Point: 333.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000136 mmHg at 25°C.
Preparation of Benzenesulfonic acid, hydrazide: this chemical can be prepared by benzenesulfonyl chloride by heating. This reaction will need reagents triethylamine, Me3Si-NHNH2. The yield is about 88%.
Uses of Benzenesulfonic acid, hydrazide: it can be used to produce benzenesulfonyl azide at the ambient temperature. It will need reagent SHNC and solvent H2O with the reaction time of 1.5 hours. The yield is about 92%.
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. You must keep it away from heat. You should not breathe dust. When using it, you must avoid contact with eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NN)c1ccccc1
(2)Std. InChI: InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
(3)Std. InChIKey: VJRITMATACIYAF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 50mg/kg (50mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. |