Description

Propanenitrile, 3-[(4-formylphenyl)methylamino]- (CAS No. 94-21-3) is a high-purity organic compound with the molecular formula C₁₁H₁₂N₂O. This specialized chemical, also known as 3-(4-formyl-N-methylanilino)propanenitrile, is a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure, featuring both a formyl and cyano functional group, makes it an ideal building block for the development of complex molecules. Our product is rigorously tested for purity and consistency, ensuring reliable performance in sensitive applications. Available in various quantities to suit laboratory and industrial needs, this compound is stored under optimal conditions to maintain stability and shelf life.

Properties

• CAS Number: 94-21-3
• Complexity: 223
• IUPAC Name: 3-(4-formyl-N-methyl-anilino)propanenitrile
• InChI: InChI=1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3
• InChI Key: DNRTTXXWWAKULZ-UHFFFAOYSA-N
• Exact Mass: 188.094963011
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.23
• SMILES: CN(CCC#N)C1=CC=C(C=C1)C=O
• Topological: 44.1
• Monoisotopic Mass: 188.094963011
• Synonyms: 94-21-3, 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 4-((2-Cyanoethyl)methylamino)benzaldehyde, EINECS 202-315-0, Propanenitrile, 3-[(4-formylphenyl)methylamino]-, Propanenitrile, 3-((4-formylphenyl)methylamino)-, 3-((4-Formylphenyl)methylamino)propiononitrile, 3-[(4-Formylphenyl)methylamino]propiononitrile, Propanenitrile, 3-(4-formylphenyl)methylamino-, 202-315-0, 3-((4-Formylphenyl)(methyl)amino)propanenitrile, 3-(4-formyl-N-methylanilino)propanenitrile, N-Methyl-N-cyanoethyl-p-aminobenzaldehyde, N-Methyl-N-cyanoethyl-p-amino benzaldehyde, 3-[(4-Formylphenyl)(Methyl)Amino]Propanenitrile, 4-[N-METHYL-N-(CYANOETHYL)]AMINOBENZALDEHYDE, MFCD00021067, SCHEMBL538121, DTXSID80861691, AAA09421, GEO-02609, SBB061674, AKOS000260105, 4-formyl-N-methyl-N-2-cyanoethylaniline, NCGC00184560-01, NCGC00184560-02, NCGC00184560-03, AS-13548, DB-057481, 3-[4-Formyl(methyl)anilino]propanenitrile #, CS-0204329, NS00041131, ST51047667, 3-[(4-Formylphenyl)-methylamino]propionitrile, EN300-20845, N-Methyl-N-(2-cyanoethyl)-4-aminobenzaldehyde, 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 98%, 3-((4-formylphenyl)(methyl)amino)-propanenitrile, Z104483558

Application

Propanenitrile, 3-[(4-formylphenyl)methylamino]-, is widely utilized as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs). Its reactive aldehyde and nitrile groups make it suitable for condensation and cyclization reactions. Researchers also employ this compound in the preparation of dyes and specialty chemicals due to its versatile functional groups. Additionally, it serves as a precursor in the synthesis of heterocyclic compounds for agrochemical and material science applications.

Safety and Hazards

GHS Hazard Statements

• H302 (31.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (25.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (68%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (25.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (25.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (68%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (31.4%)
• Acute Tox. 4 (25.5%)
• Skin Irrit. 2 (25.5%)
• Skin Sens. 1 (68%)
• Eye Irrit. 2 (25.5%)
• Acute Tox. 4 (25.5%)
• STOT SE 3 (93.5%)
• Aquatic Chronic 3 (68%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.