99-92-3

Name	4-Aminoacetophenone
CAS	99-92-3
EINECS(EC#)	202-801-2
Molecular Formula	C8H9NO
MDL Number	MFCD00007896
Molecular Weight	135.16
MOL File	99-92-3.mol

Chemical Properties

Appearance	SLIGHTLY YELLOW TO BROWN CRYSTALLINE POWDER
Melting point	103-107 °C(lit.)
Boiling point	293 °C(lit.)
bulk density	580kg/m3
density	0,77 g/cm
refractive index	1.5700 (estimate)
Fp	292-294°C
storage temp.	Store below +30°C.
solubility	6.5g/l
form	Crystalline Powder
pka	2.17±0.10(Predicted)
color	Slightly yellow to brown
Specific Gravity	0.77
Water Solubility	It is soluble in hot water, ethanol and ether.
Merck	14,413
BRN	471493
InChIKey	GPRYKVSEZCQIHD-UHFFFAOYSA-N
LogP	0.830
CAS DataBase Reference	99-92-3(CAS DataBase Reference)
NIST Chemistry Reference	Acetophenone, 4'-amino-(99-92-3)
EPA Substance Registry System	4'-Aminoacetophenone (99-92-3)

Safety Data

Hazard Codes	Xn,Xi
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
WGK Germany	3
RTECS	AM5500000
TSCA	T
HazardClass	IRRITANT-HARMFUL
HS Code	29223900
Safety Profile	Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO,. See also AROMATIC AMINES less more
Hazardous Substances Data	99-92-3(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 381 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

SLIGHTLY YELLOW TO BROWN CRYSTALLINE POWDER

Uses

A novel utilization of aminophenone derivative in toxicology, for treating intoxications with cyanogenic toxic substances.

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 34, p. 2013, 1986 DOI: 10.1248/cpb.34.2013
Tetrahedron Letters, 27, p. 4687, 1986 DOI: 10.1016/S0040-4039(00)85038-8

General Description

4′-Aminoacetophenone, commonly known as Clenbuterol Impurity D, is a related compound of sympathomimetic amine drug clenbuterol. Clenbuterol belongs to a group of compounds referred to as β-2-agonists and is generally used in the treatment of asthma.
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

Purification Methods

It is soluble in hot H2O. UV (EtOH) has max 403nm (log 4.42) [Johnson J Am Chem Soc 75 2720 1953]. [Vandenbelt Anal Chem 26 726 1954.] The 2,4-dinitrophenylhydrazone has m 266-267o (from CHCl3 or EtOH) with 403nm (log 4.42), and the max semicarbazone has m 193-194o(dec)(from MeOH). The hydrochloride has m 98o(dec)(from H2O). [Beilstein 14 IV 100.]

Toxicity evaluation

Harmful if swallowed. Causes eye, skin, and respiratory tract irritation. May cause methemoglobinemia.

References

[1] SARTO& L, et al. Anticancer Potential of Palladium(II) Complexes With Schiff Bases Derived from 4-Aminoacetophenone Against Melanoma In Vitro. Anticancer Research, 2019; 39.
[2] Huixiang W, et al. A non-enzymatic electro-chemical sensor for organophosphorus nerve agents mimics and pesticides detections. Organic Electronics, 2017; 252: 1118-1124.

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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99-92-3

Chemical Properties

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Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

Chemical Properties

Uses

Synthesis Reference(s)

General Description

Purification Methods

Toxicity evaluation

References

Material Safety Data Sheet(MSDS)

Questions And Answer

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Synthesis

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