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Acetone semicarbazone

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Name

Acetone semicarbazone

EINECS 203-746-7
CAS No. 110-20-3 Density 1.171 g/cm3
Solubility Melting Point 189-190 °C
Formula C4H9N3O Boiling Point
Molecular Weight 115.16 Flash Point
Transport Information Appearance Clear liquid
Safety 22-36/37 Risk Codes 22
Molecular Structure Molecular Structure of 110-20-3 (Acetone semicarbazone) Hazard Symbols
Synonyms

Acetone,semicarbazone (6CI,7CI,8CI);

 

Chemistry

Product Name: Acetone semicarbazone (CAS NO.110-20-3)


Molecular Formula: C4H9N3O
Molecular Weight: 115.13g/mol
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 1
Polar Surface Area: 35.91Å2
Index of Refraction: 1.511
Molar Refractivity: 29.47 cm3
Molar Volume: 98.3 cm3
Surface Tension: 39.2 dyne/cm
Mol File: 110-20-3.mol
Einecs: 203-746-7
Melting Point: 189-190°C
Density: 1.17 g/cm3
Surface Tension: 39.2 dyne/cm
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Product Categories: Pharmaceutical Intermediates
InChI
InChI=1/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
Smiles
O=C(N\N=C(\C)C)N

Production

With hydrazine hydrate and urea as raw materials, condensation may semicarbazide solution, and then with acetone synthesis, refining was finished. Hydrazine hydrate and urea will be mixed, heated to 97-104 °C , return to 6-7h. Down to 45 °C , filtration, may semicarbazide solution. The filtrate cooling to 25 °C , by adding acetone, the natural temperature 50-60 °C , heat 1h. Cooling to 20 °C  below, filtration, cake drying, may acetonide ammonia urea. Ingredients weight ratio: hydrazine hydrate (40%): Urea: acetone = 1:0.67:0.56. Yield of 90%. As intermediates, the appearance is white powder, melting point 185-189 °C . Consumption of raw materials fixed: hydrazine hydrate (40%) 300kg / t, urea (industrial) 870kg / t, acetone (industrial) 720kg / t.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 122, Pg. 110, 1958.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Acetone semicarbazone (CAS NO.110-20-3):
Risk Statements: 22 
22:  Harmful if swallowed 
Safety Statements: 22-36/37
22:  Do not breathe dust
36:  Wear suitable protective clothing  
37:  Wear suitable gloves

Specification

 Acetone semicarbazone , its CAS NO. is 110-20-3, the synonyms is 2-(1-Methylethylidene)-hydrazinecarboxamid ; Hydrazinecarboxamide, 2-(1-methylethylidene)- ; Aurora ka-350 ; Acetone semicarbazone ; 2-Propanone semicarbazone ; Acetonesemicarbazone ; 2-Propanonesemicarbazone ; Acetone semicarbazon ; Acetone semecarbazone . Acetone semicarbazone (CAS NO.110-20-3) is used to produce pharmaceutical intermediates furan tannin.

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