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2-ethyl-5-nitroaniline

2-ethyl-5-nitroaniline structure

CAS No:
20191-74-6
Formula:
C8H10N2O2
Chemical Name:
2-ethyl-5-nitroaniline
Synonyms:
2-Ethyl-5-nitrobenzenamine ,98%;2-ethyl-5-nitroaniline;BenzenaMine, 2-ethyl-5-nitro-;2-Ethyl-5-nitro-phenylaMine;4-Nitro-2-amino-1-ethylbenzene;2-Ethyl-5-nitroaniline 2-Ethyl-5-nitrobenzenamine;2-Ethyl-5-nitrobenzenamine 98%;Pazopanib Impurity 53
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

Yellow to light brown or brown solid

2-ethyl-5-nitroaniline Basic Attributes

Molecular Weight：

166.18

Exact Mass：

166.18

DSSTox ID：

DTXSID00400021

Color/Form：

Light yellow to Brown

HScode：

29214200

Characteristics

PSA：

71.8

XLogP3：

2.3

Density：

1.218±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

63-64℃ (methanol )

Boiling Point：

335.3±22.0 °C(Predicted)

Flash Point：

156.6ºC

Refractive Index：

1.598

Vapor Pressure：

0.000121mmHg at 25°C

PKA：

2.25±0.10(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Inert atmosphere,Room temperature

Safety Information

hazard class code：

20/21/22

safety instructions：

36/37

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

20/21/22

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-ethyl-5-nitroaniline Use and Manufacturing

2-ethylaniline (24.2 g, 0.2 mol) was added to concentrated sulfuric acid (100 ml).Cooled to below 0 ° C, Fuming nitric acid (18.6 g, 0.3 mol) was slowly added dropwise, The mixture was stirred at room temperature for 30 min.The reaction solution was poured into ice water (1000 ml)Slowly add 50percent sodium hydroxide solution to adjust the pH to about 8.filter, The cake was recrystallized from petroleum ether, Yielding yellow needle-shaped solid 2 (26.6 g, 80.1percent), 2- Ethyl aniline (12.1g, 0.1mol) was dissolved in concentrated sulfuricacid (50mL), cooled to 0-5 ° C, and slowly added dropwise fuming nitric acid (9.3g, 0.15mol), Bi drops, heat stirring 30min. The reaction solution was poured intoice-water (a 500 mL), and solid sodium hydroxide was added slowly under cooling was adjusted to pH7 -, a solidprecipitated. After filtration cake was dried and recrystallized fromcyclohexane to give yellow crystals 12.5g, yield 75.3percent2-ethylaniline (12. Ig, 99.8mmol, 1 equiv) was dissolved in concentrated sulphuric acid (50ml) and cooled down to OStep 2. Iron (25.8 g, 460.71 mmol) was added in several portions to a solution of l-ethyl-2, 4-dinitrobenzene (30 g, 137.76 mmol, prepared as described in Step 1 above) in acetic acid (350 mL), while maintaining the temperature at reflux. The resulting solution was maintained at reflux for a further 10 min. The product was precipitated by the addition of ice, and then extracted with ethyl acetate. The organic layers were combined, dried (anhydrous MgSO-j), filtered, and concentrated. The residue was purified by eluting through a column 1) Synthesis of 4-N-((1) Synthesis of 4-N-(

Computed Properties

Molecular Weight:166.18
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:166.074227566
Monoisotopic Mass:166.074227566
Topological Polar Surface Area:71.8
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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H2-Chem Co Ltd Contact Supplier

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2-ethyl-5-nitroaniline

CAS No.: 20191-74-6

Grade: Industrial Grade

Content: 90%

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