D34108

Dibenzylamine

97%

• Synonym(s): (N-Benzylaminomethyl)benzene, Bibenzylamine, DBA, Dibenzylamine (8CI), N,N-Dibenzylamine, N-(Phenylmethyl)benzenemethanamine, N-Benzyl-1-phenylmethanamine, N-Benzylbenzylamine
• Linear Formula: (C₆H₅CH₂)₂NH
• CAS Number: 103-49-1
• Molecular Weight: 197.28
• Beilstein: 909664
• EC Number: 203-117-7
• MDL number: MFCD00004770
• UNSPSC Code: 12352100
• PubChem Substance ID: 24893752
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.574 (lit.)
• bp: 300 °C (lit.)
• mp: −26 °C (lit.)
• density: 1.026 g/mL at 25 °C (lit.)
• SMILES string: C(NCc1ccccc1)c2ccccc2
• InChI: 1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
• InChI key: BWLUMTFWVZZZND-UHFFFAOYSA-N

Description

General description

Dibenzylamine is mainly used in the production of rubber accelerators, which play a key role in the vulcanization process. It is used as a precursor in the nitrosative cleavage of tertiary amines, aiding in various chemical reactions. It also serves as an intermediate in the synthesis of palladium complexes.

Application

• Environmental monitoring in shale gas wastewater: Dibenzylamine was identified among the hazardous substances in shale gas wastewater, with research characterizing its concentration and distribution in the Upper Yangtze River, contributing to improved environmental management practices (Tang et al., 2024).


• Advancements in organic synthesis: Dibenzylamine was used in a novel synthetic strategy for (L)-Monomethyl Tyrosine via bulky ′forced-traceless′ regioselective Pd-catalyzed C(sp(2))-H activation, showcasing its utility in pharmaceutical compound development (Illuminati et al., 2023).


• Application in crystallography: The crystal structure of di-benzyl-ammonium was elucidated, providing insights into molecular interactions and potential applications in material science and drug design (Traoré et al., 2023).


• Utilization in green chemistry: Dibenzylamine facilitated a green approach towards Triazole forming reactions, aiming to develop anticancer drugs by minimizing environmental impact and enhancing reaction efficiency (Rastogi et al., 2023).

Safety Information

• Pictograms: GHS05,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H302,H314,H410
• Precautionary Statements: P273 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1C
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 289.4 °F - closed cup
• Flash Point(C): 143 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves