Description

5-Bromonicotinonitrile (CAS No. 35590-37-5) is a high-purity organic compound with the molecular formula C₆H₃BrN₂. This versatile intermediate is widely used in pharmaceutical research, agrochemical synthesis, and material science due to its reactive bromo and cyano functional groups. The compound is supplied as a white to off-white crystalline powder with a guaranteed purity of ≥97%, ensuring optimal performance in coupling reactions, cross-coupling protocols, and heterocyclic building block applications. Each batch undergoes rigorous QC testing including HPLC, NMR, and mass spectrometry analysis. Packaged under inert gas in amber glass vials with PTFE-lined caps to ensure stability during shipping and storage.

• Molecular Weight: 183.01 g/mol
• Melting Point: 98-102°C
• Storage Conditions: 2-8°C in dry atmosphere
• HS Code: 29333990
• RTECS Number: Not applicable

Properties

• CAS Number: 35590-37-5
• Complexity: 137
• IUPAC Name: 5-bromopyridine-3-carbonitrile
• InChI: InChI=1S/C6H3BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
• InChI Key: FTFFHWWIPOQCBC-UHFFFAOYSA-N
• Exact Mass: 181.94796
• Molecular Formula: C6H3BrN2
• Molecular Weight: 183.01
• SMILES: C1=C(C=NC=C1Br)C#N
• Topological: 36.7
• Monoisotopic Mass: 181.94796
• Synonyms: 5-bromonicotinonitrile, 35590-37-5, DTXSID80353102, DTXCID90304165, 625-836-9, 3-Bromo-5-cyanopyridine, 5-bromopyridine-3-carbonitrile, 5-Bromo-3-cyanopyridine, 3-cyano-5-bromopyridine, MFCD00174363, 5-BROMO-3-PYRIDINECARBONITRILE, 3-Pyridinecarbonitrile, 5-bromo-, 3-bromo-5-cyano-pyridine, 5-bromo-nicotinonitrile, SCHEMBL248926, CHEMBL4516373, SCHEMBL20554220, SCHEMBL20554241, 5-Bromo-3-cyanopyridine, 97%, FTFFHWWIPOQCBC-UHFFFAOYSA-N, ALBB-005237, CCG-43357, SBB040176, STK503304, AKOS000268637, AC-3513, CS-W002478, FC03449, FS-1107, PB14142, BP-12631, SY007685, DB-009951, B3713, ST50213312, EN300-103723, AC-907/30003048, SR-01000633285-1, F2124-0063, Z1079179144

5-Bromonicotinonitrile serves as a key precursor in Suzuki-Miyaura cross-coupling reactions for creating biaryl structures in drug discovery. The compound’s dual functionality enables efficient transformations into various pyridine derivatives for kinase inhibitor development. Researchers utilize this building block in medicinal chemistry programs targeting CNS disorders and oncological pathways. Its stability under anhydrous conditions makes it particularly valuable for organometallic reactions requiring strict moisture control.

Safety and Hazards

GHS Hazard Statements

• H302 (14%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (14%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (14%)
• Acute Tox. 4 (14%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (14%)
• STOT SE 3 (98%)

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