Benzylamine

Base Information

• Chemical Name: Benzylamine
• CAS No.: 100-46-9
• Deprecated CAS: 857483-23-9,858831-93-3,1647116-31-1,858831-93-3
• Molecular Formula: C7H9N
• Molecular Weight: 107.155
• Hs Code.: 2921 49 00
• European Community (EC) Number: 202-854-1
• ICSC Number: 1338
• NSC Number: 8046
• UN Number: 2735
• UNII: A1O31ROR09
• DSSTox Substance ID: DTXSID5021839
• Nikkaji Number: J4.008H
• Wikipedia: Benzylamine
• Wikidata: Q424000
• Metabolomics Workbench ID: 46253
• ChEMBL ID: CHEMBL522
• Mol file: 100-46-9.mol

Synonyms:benzylamine;benzylamine hydrobromide;benzylamine hydrochloride;benzylamine monosulfate

Chemical Property of Benzylamine

Chemical Property:

• Appearance/Colour: colourless liquid with an ammoniacal odour
• Vapor Pressure: 0.713mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 185 °C at 760 mmHg
• PKA: 9.33(at 25℃)
• Flash Point: 60 °C
• PSA: 26.02000
• Density: 0.979 g/cm³
• LogP: 1.84560
• Storage Temp.: room temp
• Sensitive.: Air Sensitive
• Solubility.: alcohol: miscible
• Water Solubility.: soluble
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 107.073499291
• Heavy Atom Count: 8
• Complexity: 55.4
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 21/22-34
• Safety Statements: 26-36/37/39-45

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)CN
• 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 corrosive to the eyes, skin and respiratory tract. Inhalation of the vapour may cause lung oedema. The effects may be delayed. Medical observation is indicated.
• Uses: Benzylamine is used as a chemical intermediate for dyes, pharmaceuticals, and polymers.It is also employed as a corrosion inhibitor and as a brightener in electroplating baths. It also finds use in the manufacture of explosives. Benzylamine is a valuable intermediate for various applications and a building block for chemical synthesis used in pharmaceuticals and crop protection agents. It finds application in the coating industry. It is involved as a carrier electrolyte for separation of alkali, alkaline earth and ammonium cations in water samples by capillary electrophoresis with indirect UV detection. It is also used in synthesis of cross-linked porous copolymer supports based on N-(p-vinylbenzoyl)-2-methylalanine, styrene and divinylbenzene. In the textile industry, it is used in colored dyes. It is often used for medicinal purposes in topical creams and antifungal solutions as well as in vitamins. Benzylamine may be used as a derivatization agent to increase the sensitivity of 5-hydroxyindoles, catecholamines and catechols in biological samples prior to their determination using high performance liquid chromatography (HPLC) coupled with fluorescence detection.

Technology Process of Benzylamine

There total 778 articles about Benzylamine 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: 100.0%

benzyl azide (622-79-7) → benzylamine (100-46-9)

Guidance literature:

With Zn(BH₄)2(Ph₃P)2; In tetrahydrofuran; for 0.25h; Heating;

DOI:10.1080/10426509808029675

Reference yield: 99.7%

benzaldehyde (100-52-7) → benzylamine (100-46-9)

Guidance literature:

With ammonia; hydrogen; In methanol; at 90 ℃; for 4h; under 15001.5 Torr; Solvent; Temperature; Pressure; Autoclave;

Reference yield: 99.0%

N-benzylformamide (6343-54-0) → benzylamine (100-46-9)

Guidance literature:

With sodium ethanolate; In methanol; at 80 ℃; for 2h;

upstream raw materials:

phenylacetic acid

1-nitro-1-phenylmethane

syn-benzaldehyde oxime

benzyl azide

Downstream raw materials:

3-endo-benzylamino-8-methyl-8-azabicyclo[3.2.1]octane

N-benzyl-diethanolamine

N-Benzylethanolamine

N-benzylpyrrolidine

Refernces

• 1、 Eldred, Sarah E.,Stone, David A.,Gellman, Samuel H.,Stahl, Shannon S.. "Catalytic transamidation under moderate conditions". . p. 3422 - 3423. Retrieved 2003.
• 2、 Secrist,Logue. "-". . p. 335. Retrieved 1972.
• 3、 Weinreb, Steven M.,Demko, Donald M.,Lessen, Thomas A.,Demers, James P.. "β-TRIMETHYLSILYLETHANESULFONYL CHLORIDE (SES-Cl): A NEW REAGENT FOR PROTECTION OF AMINES". . p. 2099 - 2102. Retrieved 1986.
• 4、 Wu, Yi-Peng,Yan, Meng,Gao, Zhong-Zheng,Hou, Jun-Li,Wang, Hui,Zhang, Dan-Wei,Zhang, Junliang,Li, Zhan-Ting. "Ruthenium(II)-cored supramolecular organic framework-mediated recyclable visible light photoreduction of azides to amines and cascade formation of lactams". . p. 1383 - 1386. Retrieved 2019.
• 5、 Chatterjee, Maya,Ishizaka, Takayuki,Kawanami, Hajime. "Reductive amination of furfural to furfurylamine using aqueous ammonia solution and molecular hydrogen: An environmentally friendly approach". . p. 487 - 496. Retrieved 2016.
• 6、 Qazi, Asma,Sullivan, Alice. "Mesoporous silicabis(ethylsulfanyl)propane palladium catalysts for hydrogenation and one-pot two-step Suzuki cross-coupling followed by hydrogenation". . p. 10637 - 10642. Retrieved 2011.
• 7、 Gowda, Shankare,Gowda, D.Channe. "Application of hydrazinium monoformate as new hydrogen donor with Raney nickel: A facile reduction of nitro and nitrile moieties". . p. 2211 - 2213. Retrieved 2002.
• 8、 Le, Linh,Liu, Jiachen,He, Tianyi,Kim, Daniel,Lindley, Eric J.,Cervarich, Tia N.,Malek, Jack C.,Pham, John,Buck, Matthew R.,Chianese, Anthony R.. "Structure-Function Relationship in Ester Hydrogenation Catalyzed by Ruthenium CNN-Pincer Complexes". . p. 3286 - 3297. Retrieved 2018.
• 9、 Izawa, Yasuji,Ishiguro, Katsuhiro,Tomioka, Hideo. "Photoinduced Alcoholysis of Trihaloacetyl Group". . p. 951 - 952. Retrieved 1983.
• 10、 Bellamy, Anthony J.. "Reductive debenzylation of hexabenzylhexaazaisowurtzitane". . p. 4711 - 4722. Retrieved 1995.