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1068-57-1

Basic Information
CAS No.: 1068-57-1
Name: Acethydrazide
Molecular Structure:
Molecular Structure of 1068-57-1 (Acethydrazide)
Formula: C2H6N2O
Molecular Weight: 74.10
Synonyms: Acetic hydrazide;Acetohydrazide;Acetohydrazine;Acetyl hydrazide;Acetylhydrazine;ENT-61241;Ethanehydrazonic acid;Hydrazine, acetyl-;Monoacetylhydrazine;NSC 2271;NSC 53155;Acetic acid, hydrazide;
EINECS: 213-948-7
Density: 1.041 g/cm3
Melting Point: 58-68 °C(lit.)
Boiling Point: 246 °C at 760 mmHg
Flash Point: 102.6 °C
Solubility: soluble in water
Appearance: white solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/38
Safety: 26-36
Transport Information:
PSA: 55.12000
LogP: 0.08740
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Acetyl hydrazide, with the CAS registry number 1068-57-1, is also known as 1-Methylformylhydrazine. Its molecular formula is C2H6N2O and classification codes are Carcinogens; Mutation data; Noxae. Moreover, it has the systematic name acetohydrazide and the product categories Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Pesticide Intermediates; Other Pesticides; Pesticide Intermediates; Herbicide Intermediates. However, this chemical should be kept cool and dry, away from oxides. What's more, it's metabolite of isoniazid in animals and humans. 

Other characteristics of the Acetyl hydrazide can be summarised as followings: (1)ACD/LogP: -1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.05; (8)ACD/KOC (pH 7.4): 3.06; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 18.47 cm3; (15)Molar Volume: 71.1 cm3; (16)Polarizability: 7.32×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 102.6 °C; (20)Enthalpy of Vaporization: 48.31 kJ/mol; (21)Boiling Point: 246 °C at 760 mmHg; (22)Vapour Pressure: 0.0279 mmHg at 25°C.

Production method of the Acetyl hydrazide: It could be obtained by the ethyl acetate and hydrazine hydrate in the presence of Al2O3. The reaction equation is as following: CH3COOC2H5 + NH2N2.H2O→CH3CONHNH2 + C2H5OH

Uses of the Acetyl hydrazide: It's important intermediates in organic synthesis, such as pyrazine ketones intermediates in pesticides, benzene and metribuzin intermediates in herbicide. It's mainly used for synthesis of nitric furosemide Long (nifuratrone) in medicine.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It's also irritating to eyes and skin.You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(NN)C
2.InChI: InChI=1/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
3.InChIKey: OFLXLNCGODUUOT-UHFFFAOYAS

The toxicity data is as follows:  
 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 42200ug/kg (42.2mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 153mg/kg (153mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 122, Pg. 110, 1958.
rabbit LDLo subcutaneous 116mg/kg (116mg/kg) ENDOCRINE: HYPOGLYCEMIA Journal of Pharmacology and Experimental Therapeutics. Vol. 30, Pg. 87, 1927.