Aniline hydrochloride

Base Information

• Chemical Name: Aniline hydrochloride
• CAS No.: 142-04-1
• Deprecated CAS: 1415719-73-1
• Molecular Formula: C6H7N^.HCl
• Molecular Weight: 129.589
• Hs Code.: 29214100
• European Community (EC) Number: 306-925-9,205-519-8
• ICSC Number: 1013
• NSC Number: 7910
• UN Number: 1548
• UNII: 576R1193YL
• DSSTox Substance ID: DTXSID3020091
• Wikipedia: Anilinium_chloride
• Wikidata: Q2287905
• ChEMBL ID: CHEMBL3182415
• Mol file: 142-04-1.mol

Synonyms:aniline;aniline aluminium salt;aniline dihydrofluoride;aniline diphosphate (1:1);aniline diphosphate (3:1);aniline diphosphate (4:1);aniline hydrobromide;aniline hydrochloride;aniline hydrochloride-(14)C-labeled cpd;aniline hydrochloride-(15)N-labeled cpd;aniline hydrofluoride;aniline hydrogen iodide;aniline monosulfate;aniline nitrate;aniline perchlorate;aniline phosphate (1:1);aniline phosphate (1:2);aniline phosphate (2:1);aniline phosphonate (1:1);aniline sulfate;aniline sulfate (2:1);aniline sulfate (2:1), (14)C-labeled cpd;aniline, (13)C-labeled cpd;aniline, (14)C-labeled cpd;aniline, 15N-labeled cpd;aniline, 2-(13)C-labeled cpd;aniline, 3-(13)C-labeled cpd;aniline, 3H-labeled cpd;aniline, 4-(13)C-labeled cpd;aniline, conjugate acid;aniline, ion(1+);aniline, magnesium (1:1) salt;aniline, monolithium salt;aniline, sodium salt

Chemical Property of Aniline hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white crystals
• Vapor Pressure: 0.733mmHg at 25°C
• Melting Point: 196-198 °C(lit.)
• Refractive Index: 1.5330 (estimate)
• Boiling Point: 184.4 °C at 760 mmHg
• Flash Point: 70 °C
• PSA: 26.02000
• Density: 1.2215 g/cm³
• LogP: 2.65200
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: 1070g/l
• Water Solubility.: 1070 g/L (25 ºC)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.0345270
• Heavy Atom Count: 8
• Complexity: 46.1
• Transport DOT Label: Poison

Purity/Quality:

99.5% ^*data from raw suppliers

Aniline hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T,N
• Statements: 23/24/25-40-41-43-48/23/24/25-50-68
• Safety Statements: 26-27-36/37/39-45-61-63-46

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC=C(C=C1)N.Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the blood. This may result in the formation of methaemoglobin. Exposure at high levels could cause death. Medical observation is indicated. The effects may be delayed.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. The substance may have effects on the blood. This may result in the formation of methaemoglobin.
• Description: Aniline (hydrochloride) (Item No. 21963) is an analytical reference standard that is structurally categorized as a synthetic intermediate. It is used to make the imine derivative of NPP as part of the synthesis of fentanyl (Item Nos. 14719 | ISO60197 ) and its derivatives. This product is intended for research and forensic applications.
• Uses: Intermediates, dyeing and printing, aniline black. Aniline hydrochloride was used in the preparation of polyaniline coated poly(styrene-co-styrene sulfonate) nanoparticles. It was used to study the induction of Nei-like DNA glycosylases (NEIL1/2)-mediated base excision repair(BER) in rat spleen and 8-oxoguanine glycosylase 1-mediated BER due to aniline exposure. It is used in printing inks, clothing marking inks, paints and paint removers. It is also used as a stove polisher and shoe polisher, as well as in the synthesis of dyes, crayons and antioxidants.

Technology Process of Aniline hydrochloride

There total 190 articles about Aniline hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

3-chloro-2,4,6-trinitrophenyl 2,4,6-trinitrophenyl sulfone (37460-59-6) + aniline (62-53-3) → 2,4,6-trinitrochlorobenzene (88-88-0) + trinitro-2,4,6 diphenylamine (2919-12-2) + aniline hydrochloride (142-04-1,36663-09-9)

Guidance literature:

With air; In benzene; at 20 ℃; for 2h; Product distribution;

Reference yield: 63.0%

isovaleranilide (2364-50-3) + ethylmagnesium bromide (925-90-6) → 5-methyl-3-hexanone (623-56-3) + aniline hydrochloride (142-04-1,36663-09-9)

Guidance literature:

isovaleranilide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.5h;

ethylmagnesium bromide; With cerium(III) chloride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 2h;

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/j.cclet.2015.05.033

Reference yield:

diethyl ether (60-29-7,927820-24-4) + aniline (62-53-3) → aniline hydrochloride (142-04-1,36663-09-9) + benzene diazonium chloride (100-34-5) + Phenyl azide (622-37-7)

Guidance literature:

upstream raw materials:

pentachloro-2H-pyrrole

diethyl ether

aniline

N-Phenylbenzimidchlorid

Downstream raw materials:

N-(2-aminoethyl)benzeneamine

1-methyl-4-phenylpiperazine

N,N-dimethyl-aniline

N-methylaniline

Refernces

• 1、 Kaman, Ondej,Smrcok, Lubomir,Gyepes, Robert,Havlicek, David. "Anilinium dihydrogen phosphate". . p. o57-o60. Retrieved 2012.
• 2、 Abdrakhmanov,Sharafutdinov,Mustafin,Zimin, Yu. S.,Daminev. "Effect of Solvents on Acid-Catalyzed Claisen Amino Rearrangement in N-(1-Methyl-2-butenyl)aniline". . p. 23 - 27. Retrieved 2019.
• 3、 Schleicher, David,Tronnier, Alexander,Soellner, Johannes,Strassner, Thomas. "Cyclometalated Ruthenium(II) NHC Complexes with Imidazo[1,5-a]pyridine-Based (C^C*) Ligands – Synthesis and Characterization". . p. 1956 - 1965. Retrieved 2019.
• 4、 Matulková, Irena,Cihelka, Jaroslav,Fejfarová, Karla,Duek, Michal,Pojarová, Michaela,Vank, Pemysl,Kroupa, Jan,ála, Michal,Krupková, Radmila,Němec, Ivan. "Semi-organic salts of aniline with inorganic acids: Prospective materials for the second harmonic generation". . p. 4131 - 4138. Retrieved 2011.
• 5、 Huffman, Robert W.. "Amine Catalysis of the Hydrolysis of Trifluoroacetanilide". . p. 2675 - 2680. Retrieved 1980.
• 6、 Barreteau, Fabien,Battilocchio, Claudio,Browne, Duncan L.,Godineau, Edouard,Leitch, Jamie A.,Nicholson, William I.,Payne, Riley,Priestley, Ian. "Direct Amidation of Esters by Ball Milling**". supporting information. p. 21868 - 21874. Retrieved 2021/09/02.
• 7、 Gudun, Kristina A.,Hayrapetyan, Davit,Khalimon, Andrey Y.,Segizbayev, Medet,Slamova, Ainur,Zakarina, Raikhan. "Cobalt-Catalyzed Deoxygenative Hydroboration of Nitro Compounds and Applications to One-Pot Synthesis of Aldimines and Amides". . . Retrieved 2021/11/30.