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3′-Aminoacetophenone

3′-Aminoacetophenone structure

CAS No:
99-03-6
Formula:
C8H9NO
Chemical Name:
3′-Aminoacetophenone
Synonyms:
Ethanone,1-(3-aminophenyl)-;Acetophenone,3′-amino-;1-(3-Aminophenyl)ethanone;m-Aminoacetylbenzene;β-Aminoacetophenone;m-Aminoacetophenone;3′-Aminoacetophenone;m-Acetylaniline;3-Acetylaniline;1-Acetyl-3-aminobenzene;3-Acetylphenylamine;NSC 7637;3-Methylcarbonylaniline;1-(3-Aminophenyl)ethan-1-one
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Description

3-Aminoacetophenone is yellow to light brown crystalline powder

3'-Aminoacetophenone is an aromatic ketone.

3′-Aminoacetophenone Basic Attributes

Molecular Weight：

135.16

Exact Mass：

135.16

BRN：

386009

EC Number：

202-722-3

NSC Number：

7637

DSSTox ID：

DTXSID0021830

HScode：

29223900

Characteristics

PSA：

43.1

XLogP3：

1.2

Appearance：

Brown flakes.

Density：

1.1±0.1 g/cm3

Melting Point：

98.5 °C

Boiling Point：

289.5 °C

Flash Point：

289-291°C

Refractive Index：

1.571

Water Solubility：

7.056g/L(37.5 ºC)

Storage Conditions：

2-8°C

Toxicity：

Oral-rat LD50: 1870mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

36/37-36-26

RTECS Number：

AM5800000

Marks：

Xn,Xi

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures. Partly volatile in steam.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 49 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

3'-aminoacetophenone

3′-Aminoacetophenone Use and Manufacturing

Methods of Manufacturing

It is obtained by reducing m-nitroacetophenone with iron powder, adding water to the reaction tank, adding iron powder with stirring, and slowly adding industrial hydrochloric acid. Then put m-nitroacetophenone in batches. Heat to reflux for 6h. Cool to 30 ℃, add hydrochloric acid to make the reaction solution strong acidic. After filtration, the filtrate was added with ammonia water until it was weakly alkaline, and solid matter was precipitated. Filtration, the filter cake is m-aminoacetophenone. The yield is 85%.

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.

Manufacturing Info：

Ethanone, 1-(3-aminophenyl)-: ACTIVE

Computed Properties

Molecular Weight:135.16
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:135.068413911
Monoisotopic Mass:135.068413911
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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