99-92-3
Product Name:
4-Aminoacetophenone
Formula:
C8H9NO
Synonyms:
1-(4-Aminophenyl)-ethanone;4′-Aminoacetophenone;4-Acetylaniline
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid with a pleasant odor; [HSDB] Tan crystalline solid; [MSDSonline] |
|---|---|
| Color/Form | Yellow monoclinic prisms from alcohol |
| Odor | Pleasant, characteristic odor |
| Boiling Point | 294 °C; 195 °C at 15 mm Hg |
| Melting Point | 106 °C |
| Solubility | Soluble in hydrochloric acid |
| Vapor Pressure | 0.00989 [mmHg] |
| LogP | log Kow = 0.83 |
| Dissociation Constants | pKa = 2.76 (conjugate acid) |
| Kovats Retention Index | 1440 |
| Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 135.16 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 135.068413911 g/mol |
| Monoisotopic Mass | 135.068413911 g/mol |
| Topological Polar Surface Area | 43.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 125 |
| 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 |