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CAS No.: | 546-88-3 |
---|---|
Name: | Acetohydroxamic acid |
Article Data: | 98 |
Molecular Structure: | |
Formula: | C2H5NO2 |
Molecular Weight: | 75.0672 |
Synonyms: | Acetohydroxamicacid (6CI,8CI);AHA;Acetic acid, oxime;Acetohydroximic acid;Acetylhydroxylamine;Hydroxylamine, N-acetyl-;Methylhydroxamic acid;N-Acetylhydroxylamine;N-Hydroxyacetamide;Acetomenadione; |
EINECS: | 208-913-8 |
Density: | 1.155 g/cm3 |
Melting Point: | 88-90 °C(lit.) |
Boiling Point: | 231.4 °C at 760 mmHg |
Flash Point: | 127.6 °C |
Solubility: | Soluble in water. |
Appearance: | White crystalline solid |
Hazard Symbols: | T |
Risk Codes: | 61-40 |
Safety: | 53-45-36/37/39-22 |
Transport Information: | UN 3263 |
PSA: | 49.33000 |
LogP: | -0.09740 |
Conditions | Yield |
---|---|
With hydroxyammonium sulfate; sodium ethanolate In ethanol at 25℃; for 2h; Concentration; | 97.1% |
With hydroxylamine hydrochloride; sodium hydroxide In methanol; water at 40℃; for 3h; Concentration; Reagent/catalyst; Temperature; Solvent; Large scale; | 84.6% |
With hydroxylamine; sodium ethanolate |
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride; amidase from Pseudomonas aeruginosa strain L10; hydroxylamine; cetyltrimethylammonium bromide In octanol; n-heptane; water for 0.5h; aq. buffer; Enzymatic reaction; | 92% |
With hydroxylamine; amidase from Brevibacterium sp. R312 Mechanism; further reagent concentration: 100mM; | |
With hydroxylamine hydrochloride |
acetylhydroxamic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 0℃; for 18h; | 80.1% |
Conditions | Yield |
---|---|
With selenium(IV) oxide; triethylamine In dichloromethane 1.) 0-10 deg C, 10 min. 2.) 20 deg C, 30 min. 3.) reflux, 1h; | 66% |
Geschwindigkeit; |
Conditions | Yield |
---|---|
With hydroxylamine monohydrate In water at 20 - 80℃; | 55% |
With hydroxylamine hydrochloride | |
With hydroxylamine hydrochloride |
hydroxylamine succinic acid salt
acetic acid
A
1-hydroxy-pyrrolidine-2,5-dione
B
acetylhydroxamic acid
Conditions | Yield |
---|---|
for 10 - 15h; Product distribution / selectivity; Heating / reflux; | A 54.4% B 3.7% |
Conditions | Yield |
---|---|
With diethyl ether; hydroxylamine |
Conditions | Yield |
---|---|
With caro's acid |
Conditions | Yield |
---|---|
With acetic acid |
Conditions | Yield |
---|---|
With methanol; hydroxylamine at 40 - 50℃; |
Molecular Structure of Acetohydroxamic Acid (CAS NO.546-88-3):
IUPAC Name: N-hydroxyacetamide
Empirical Formula: C2H5NO2
Molecular Weight: 75.0666
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.42
Molar Refractivity: 16.47 cm3
Molar Volume: 64.9 cm3
Surface Tension: 38.1 dyne/cm
Density: 1.155 g/cm3
Flash Point: 127.6 °C
Enthalpy of Vaporization: 54.41 kJ/mol
Boiling Point: 231.4 °C at 760 mmHg
Vapour Pressure: 0.0118 mmHg at 25°C
Melting point: 88-90 °C(lit.)
Sensitive: Hygroscopic
Apperance White Crystalline Solid
EINECS: 208-913-8
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; All Inhibitors; Hydroxylamines (N-Substituted); Hydroxylamines; Inhibitors; Nitrogen Compounds; Organic Building Blocks
InChI
InChI=1/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Smiles
C(NO)(C)=O
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1300mg/kg (1300mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 92, | |
rat | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 645, 1968. |
Hazard Codes: T
Risk Statements: 61-40
R61:May cause harm to the unborn child.
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 53-45-36/37/39-22
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S22:Do not breathe dust.
RIDADR: 3263
WGK Germany: 3
RTECS: AK8157000
Hazard Note: Toxic
PackingGroup: II
Acetohydroxamic Acid , with CAS number of 546-88-3, can be called Acetamide, N-hydroxy- ; Acetic acid, oxime ; Acethydroxamsaeure ; Acide acetohydroxamique ; Acidum acetohydroxamicum ; Hydroxylamine, N-acetyl- ; N-Acetylhydroxylamine ; N-Hydroxyacetamide . It is a white crystalline solid, Acetohydroxamic acid is a drug that is a potent and irreversible inhibitor of bacterial and plant urease. Acetohydroxamic Acid (CAS NO.546-88-3) is used for urinary tract infections.