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| CAS No.: | 1068-57-1 |
|---|---|
| Name: | Acethydrazide |
| Molecular Structure: | |
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|
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| 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: |
 Xn
|
| Risk Codes: | 22-36/38 |
| Safety: | 26-36 |
| PSA: | 55.12000 |
| LogP: | 0.08740 |
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| Conditions | Yield |
|---|---|
| With pyridine; aluminum oxide; hydrazine at 102 - 104℃; for 1h; microwave irradiation; | 100% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate at 85℃; for 0.00277778h; | 99% |
| With hydrazine hydrate | 98% |
| With hydrazine hydrate In ethanol; ethyl acetate for 4h; Reflux; | 98% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate at 40 - 75℃; for 4h; Temperature; Green chemistry; Large scale; | 98% |
| With hydrazine hydrate In ethanol Heating; | |
| With hydrazine hydrate Reflux; |
| Conditions | Yield |
|---|---|
| With hydrogen In ethanol | 98% |
| With hydrogen In ethanol | 98% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With water; hydrazine In ethanol for 0.25h; Ambient temperature; | 75% |
- 603-69-0
ethyl 2-acetylacetoacetate
A
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3,5-Dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
B
- 141-97-9
ethyl acetoacetate
C
- 1068-57-1
acetic acid hydrazide
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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
B
- 1068-57-1
acetic acid hydrazide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 70℃; for 2h; | A n/a B n/a C 27% |
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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. |