3-Oxobutanenitrile
- CAS NO.:2469-99-0
- Empirical Formula: C4H5NO
- Molecular Weight: 83.09
- MDL number: MFCD05861381
- EINECS: 219-590-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-11-08 14:36:47
What is 3-Oxobutanenitrile?
Chemical properties
Acetylacetonitrile [2469-99-0], b-ketobutyronitrile, 3-oxo-butanenitrile, H3CCOCCH2 CN, Mr 83.09, bp 120 – 125℃ (101.3 kPa), can be obtained by hydrolysis of b-aminocrotononitrile. A potential application is the synthesis of 3-amino-5-methylisoxazole, which is an intermediate for various drugs.
The Uses of 3-Oxobutanenitrile
3-?Oxobutanenitrile is a reagent used in the synthesis of pyrazolopyrimidinones as well as in the preparation of inhibitors of phosphopantetheine
Properties of 3-Oxobutanenitrile
Boiling point: | 92-94℃/10mm |
Density | 0.976±0.06 g/cm3(Predicted) |
refractive index | 1.4285 |
storage temp. | Inert atmosphere,Store in freezer, under -20°C |
form | Liquid |
pka | 10.31±0.10(Predicted) |
color | Colorless to pale yellow |
Water Solubility | Slightly soluble in water. |
CAS DataBase Reference | 2469-99-0 |
Safety information for 3-Oxobutanenitrile
Signal word | Danger |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-Oxobutanenitrile
New Products
4-Aminotetrahydropyran-4-carbonitrile Hydrochloride (R)-3-Aminobutanenitrile Hydrochloride 4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile 3-((Dimethylamino)methyl)-5-methylhexan-2-one oxalate 1,4-Dioxa-8-azaspiro[4.5]decane 5-Bromo-2-nitropyridine Nimesulide BP Aceclofenac IP/BP/EP Diclofenac Sodium IP/BP/EP/USP Mefenamic Acid IP/BP/EP/USP Ornidazole IP Diclofenac Potassium SODIUM AAS SOLUTION ZINC AAS SOLUTION BUFFER SOLUTION PH 10.0(BORATE) GOOCH CRUCIBLE SINTERED AQUANIL 5 BERYLLIUM AAS SOLUTION 2-Bromo-1-(bromomethyl)-3-chloro-5-nitrobenzene 2-Bromo-3-nitroaniline N-(3-Hydroxypropyl)-N-methylacetamide 3-Bromo-6-chloropyridazine 4-ethyl-3-nitrobenzoic acidRelated products of tetrahydrofuran
2,2'-Azobis(2-methylpropionitrile)
Sodium cyanoborohydride
Ethyl N-cyanoethanimideate
Ethyl cyanoacetate
Isobutyronitrile
Butadiene-acrylonitrile rubber
Methylene dithiocyanate
Cyanoacetic acid
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