| Identification | More | [Name]
3-Aminoacetophenone | [CAS]
99-03-6 | [Synonyms]
1-(3-aminophenyl)ethanone
3-ACETYLANILINE
3'-AMINOACETOPHENONE
3-AMINOACETOPHENONE
LABOTEST-BB LTBB000557
M-AMINOACETOPHENONE
M-AMINOACETYLBENZENE
M-AMINOPHENYLMETHYLKETONE
1-(3-aminophenyl)-ethanon
3’-amino-acetophenon
3-aminoacetofenon
aminoacetophenone
beta-aminoacetophenone
Ethanone,1-(3-aminophenyl)-
m-acetylaniline
m-amino-acetophenon
m-Amiomethylphenylketone
3-Aminoacetophenone99%
3-Aminoacetophenone,~95%
3-Aminoacetophenone,97% | [EINECS(EC#)]
202-722-3 | [Molecular Formula]
C8H9NO | [MDL Number]
MFCD00007796 | [Molecular Weight]
135.16 | [MOL File]
99-03-6.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to light brown crystalline powder | [Melting point ]
94-98 °C(lit.)
| [Boiling point ]
289-290 °C(lit.)
| [density ]
1.1031 (rough estimate) | [vapor pressure ]
1.319Pa at 25℃ | [refractive index ]
1.5700 (estimate) | [Fp ]
289-291°C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
3.41±0.10(Predicted) | [color ]
Yellow to light brown crystalline powder | [Water Solubility ]
7.056g/L(37.5 ºC) | [Merck ]
14,413 | [BRN ]
386009 | [InChI]
1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3 | [InChIKey]
CKQHAYFOPRIUOM-UHFFFAOYSA-N | [SMILES]
CC(=O)c1cccc(N)c1 | [LogP]
0.83 | [CAS DataBase Reference]
99-03-6(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Aminoacetophenone(99-03-6) | [EPA Substance Registry System]
99-03-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P264-P270-P301+P312-P501 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
2
| [RTECS ]
AM5800000
| [Hazard Note ]
Irritant | [TSCA ]
T | [REACH Registrations]
Inactive | [HazardClass ]
IRRITANT | [HS Code ]
29223900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral | [Safety Profile]
Moderately toxic by ingestion. Mddly toxic by skin contact. A skin and eye irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NO,. See also AROMATIC AMINES. |
| Hazard Information | Back Directory | [Chemical Properties]
3-Aminoacetophenone is yellow to light brown crystalline powder
| [Uses]
3'-Aminoacetophenone has potential anti-bacterial properties in addition to being used in the synthesis of selective antagonists at human A2B adenosine receptors. As well, it is used in the synthesis
of HIV-1 Integrase Inhibitors. | [Definition]
ChEBI: 3'-Aminoacetophenone is an aromatic ketone. | [Synthesis Reference(s)]
Synthetic Communications, 26, p. 973, 1996 DOI: 10.1080/00397919608003701 | [General Description]
3′-Aminoacetophenone acts as bifunctional coupling reagent during the synthesis of pyrimidines. | [Synthesis]
Add 2.0g of m-nitroacetophenone, 0.2g of Pt/Bi2O3 (Pt content 0.2 wt%), 10mL of anhydrous methanol into a 50mL intermittent reactor, successively replace the gas in the reactor with nitrogen and hydrogen for 3-5 times, fill with hydrogen to a pressure of | [Purification Methods]
Recrystallise it from EtOH or aqueous EtOH (m 99.5o). The thiosemicarbazone has m 202-204o (from EtOH). [Beilstein 14 H 45, 14 IV 96.] |
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