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1068-57-1

Basic Information
CAS No.: 1068-57-1
Name: Acethydrazide
Article Data: 108
Cas Database
Molecular Structure:
Molecular Structure of 1068-57-1 (Acethydrazide)
Formula: C2H6N2O
Molecular Weight: 74.0824
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: N/A
PSA: 55.12000
LogP: 0.08740
Synthetic route
108-24-7

acetic anhydride

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With pyridine; aluminum oxide; hydrazine at 102 - 104℃; for 1h; microwave irradiation;100%
141-78-6

ethyl acetate

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrazine hydrate at 85℃; for 0.00277778h;99%
With hydrazine hydrate98%
With hydrazine hydrate In ethanol; ethyl acetate for 4h; Reflux;98%
79-20-9

acetic acid methyl ester

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrazine hydrate at 40 - 75℃; for 4h; Temperature; Green chemistry; Large scale;98%
With hydrazine hydrate In ethanol Heating;
With hydrazine hydrate Reflux;

acetamido azide

5244-34-8

2,2'-ethane-1,2-diylbissulfanyl-bis-ethanol

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrogen In ethanol98%
With hydrogen In ethanol98%
64-19-7

acetic acid

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrazine hydrate for 0.0222222h; Microwave irradiation;86%
With hydrazine hydrate Microwave irradiation;
Stage #1: acetic acid With sulfuric acid In methanol at 20℃; for 4h; Reflux;
Stage #2: With hydrazine hydrate In methanol at 75℃; for 0.5h;
16067-88-2

N-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-acetamide

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With water; hydrazine In ethanol for 0.25h; Ambient temperature;75%
603-69-0

ethyl 2-acetylacetoacetate

A

35691-93-1

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester

B

141-97-9

ethyl acetoacetate

C

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrazine In chloroform-d1 at 20℃;A 32%
B 68 % Spectr.
C 68%
With hydrazine In chloroform-d1 at 20℃;A 32%
B 68%
C 68 % Spectr.
With hydrazine In acetone at -20℃;A 85 % Spectr.
B 15%
C 15%
919-19-7

diethyl acetylphosphonate

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 12h;55%
With hydrazine In ethanol for 12h; Product distribution; Mechanism; reaction with other subst. hydrazines;55%
896109-94-7

ethyl 4-(1-adamantyl)-3-oxo-2-(1-oxoethyl)butanoate

A

3-(1-adamantylmethyl)-1H-pyrazol-5-one

B

1068-57-1

acetic acid hydrazide

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 4h; Reflux;A 39%
B n/a
896109-94-7

ethyl 4-(1-adamantyl)-3-oxo-2-(1-oxoethyl)butanoate

100-63-0

phenylhydrazine

A

33566-14-2

4-adamantan-1-yl-3-oxobutyric acid ethyl ester

B

1068-57-1

acetic acid hydrazide

C

33566-15-3

3-(1-adamantylmethyl)-1-phenyl-1H-pyrazol-5-one

Conditions
ConditionsYield
at 70℃; for 2h;A n/a
B n/a
C 27%
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    Acethydrazide Basic information Product Name: Acethydrazide Synonyms: 374;Acetyl hydrazide;ACETIC ACID HYDRAZIDE;ACETOHYDRAZIDE;ACETIC HYDRAZIDE;ACETHYDRAZIDE;AKOS 90782;Acethydrazide=Acetylhydrazide CAS: 1068-57-1 MF: C2H6N2O MW: 74.

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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.