ChemicalBook--->CAS DataBase List--->29968-78-3

29968-78-3

29968-78-3 Structure

29968-78-3 Structure
IdentificationMore
[Name]

4-Nitrophenethylamine hydrochloride
[CAS]

29968-78-3
[Synonyms]

2-(4-NITROPHENYL)ETHYLAMINE HYDROCHLORIDE
2-(P-NITROPHENYL)ETHYLAMINE HYDROCHLORIDE
4-NITROPHENETHYLAMINE HCL
4-NITROPHENETHYLAMINE HYDROCHLORIDE
4-NITROPHENYLETHYLAMINE HCL
4-NITROPHENYLETHYLAMINE HYDROCHLORIDE
p-Nitrophenethylamine hydrochloride
4-Nitrophcnethylamine
4-NITROPHENYLETHYLAMINO HYDROCHLORIDE
4-NITROPHENYLAMINEHCL
2-(4-NITROPHENYL)ETHYLAMINE HYDROCHLORIDE 97+%
P-NITROPHENYLETHYLAMINE HCL
2-(4-nitrophenyl) ethylamine, HCl
Benzeneethanamine, 4-nitro-, monohydrochloride
[EINECS(EC#)]

249-980-3
[Molecular Formula]

C8H11ClN2O2
[MDL Number]

MFCD00012900
[Molecular Weight]

202.64
[MOL File]

29968-78-3.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to brown crystalline powder and chunks
[Melting point ]

200 °C (dec.)(lit.)
[storage temp. ]

0-6°C
[solubility ]

Soluble in methanol almost transparency.
[form ]

Crystalline Powder
[color ]

Yellow to yellow-green
[BRN ]

3568915
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H
[InChIKey]

JVMHULJEYUQYSH-UHFFFAOYSA-N
[SMILES]

C1([N+]([O-])=O)C=CC(CCN)=CC=1.Cl
[CAS DataBase Reference]

29968-78-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HS Code ]

29214990
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(4-Nitrophenyl)ethylamine hydrochloride(29968-78-3).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow to brown crystalline powder and chunks
[Uses]

4-Nitrophenethylamine hydrochloride was used in the synthesis of ortho-metalated primary phenethylamines complexes containing six-membered palladacycles and N-(4-nitrophenethyl)formamide.
[Preparation]

The preparation of 4-Nitrophenethylamine hydrochloride is as follows:Ten mL of 2M HCl was then added in a one-pot fashion, and, in all cases but threonine, the reaction vessel was heated to 190°Cover 5 min with stirring and then allowed to cool. In the case of the temperature-sensitive threonine, soxhlet extraction with toluene was performed at 80°C to remove R-carvone from the reaction mixture. The aqueous reaction mixture was washed three times with 25 mL of ether, and then water solvent was distilled off from the hydrochloride salt. The hydrochloride salt was transferred to a vacuum oven and dried overnight at 150 °C and 10 Torr.

29968-78-3(1).png

[Synthesis]

N-ACETYL-2-(4-NITROPHENYL)ETHYLAMINE

6270-07-1

4-Nitrophenethylamine hydrochloride

29968-78-3

In a reactor, 140 kg of N-(4-nitrophenylethyl)acetamide was dissolved in 190 kg of ethanol with constant stirring until complete dissolution. The pH of the reaction mixture was adjusted to 1 using 2 mol/L hydrochloric acid solution.Subsequently, the reaction mixture was heated to 80°C and maintained at this temperature for 20 hrs. Upon completion of the reaction, the reaction solution was cooled to room temperature to induce precipitation of the solid product. The crude product was purified by recrystallization through methanol, and after filtration and centrifugation, 116 kg of 4-nitrophenylethylamine hydrochloride was obtained, and the purity of the final product was 99.6%. The yield of this synthesis step was 84.7%.

[References]

[1] Patent: CN107759477, 2018, A. Location in patent: Paragraph 0063
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrophenethylamine hydrochloride(29968-78-3)MS
4-Nitrophenethylamine hydrochloride(29968-78-3)1HNMR
4-Nitrophenethylamine hydrochloride(29968-78-3)13CNMR
4-Nitrophenethylamine hydrochloride(29968-78-3)FT-IR
4-Nitrophenethylamine hydrochloride(29968-78-3)IR
4-Nitrophenethylamine hydrochloride(29968-78-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrophenethylamine hydrochloride, 93%(29968-78-3)
[Sigma Aldrich]

29968-78-3(sigmaaldrich)
[TCI AMERICA]

2-(4-Nitrophenyl)ethylamine Hydrochloride,>98.0%(LC)(T)(29968-78-3)
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