CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Acetoacetanilide is a white crystalline solid. (NTP, 1992) |
|---|---|
| Color/Form | WHITE CRYSTALLINE SOLID |
| Boiling Point | Decomposes (NTP, 1992) |
| Melting Point | 187 °F (NTP, 1992) |
| Flash Point | 325 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.26 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.01 mmHg at 68 °F (NTP, 1992) |
| Stability/Shelf Life | ENOL FORM IS UNSTABLE |
| Decomposition | SEE ANILINE. ...WHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES. /ANILINE/ |
| Dissociation Constants | pKa = 10.68 at 20 °C |
| Other Experimental Properties | RESEMBLES ETHYL ACETOACETATE IN CHEM REACTIVITY |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H341:Germ cell mutagenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 177.20 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.078978594 g/mol |
| Monoisotopic Mass | 177.078978594 g/mol |
| Topological Polar Surface Area | 46.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 195 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Acetoacetanilide is a white crystalline solid. (NTP, 1992)