Description

2-Bromobenzyl cyanide (CAS No. 19472-74-3) is a high-purity organic compound with the molecular formula C₈H₆BrN. This versatile reagent is widely used in pharmaceutical synthesis, agrochemical research, and advanced material development. The compound features a bromine substituent on the benzene ring adjacent to an acetonitrile group, enabling diverse reactivity in nucleophilic substitutions and coupling reactions. Our product is rigorously tested to ensure ≥97% purity by GC analysis, with trace metal content below 1ppm. Supplied as a clear to pale yellow liquid (or crystalline solid depending on storage conditions) with a characteristic aromatic odor. Proper handling requires PPE due to potential lachrymatory effects and toxicity hazards. Storage recommendations: Keep tightly sealed under inert atmosphere at 2-8°C in amber glass containers. Available in research quantities (100mg to 100g) with optional certificates of analysis.

Properties

• CAS Number: 19472-74-3
• Complexity: 147
• IUPAC Name: 2-(2-bromophenyl)acetonitrile
• InChI: InChI=1S/C8H6BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
• InChI Key: BVCOJESIQPNOIF-UHFFFAOYSA-N
• Exact Mass: 194.96836
• Molecular Formula: C8H6BrN
• Molecular Weight: 196.04
• SMILES: C1=CC=C(C(=C1)CC#N)Br
• Topological: 23.8
• Monoisotopic Mass: 194.96836
• Synonyms: 2-Bromophenylacetonitrile, 19472-74-3, 2-Bromobenzyl cyanide, (2-Bromophenyl)acetonitrile, S3GF4DI9A8, 2-CYANOMETHYLBROMOBENZENE, 1-BROMO-2-CYANOMETHYLBENZENE, EINECS 243-091-4, UNII-S3GF4DI9A8, NSC 338412, NSC-338412, DTXSID5075315, 2-BROMOBENZENEACETONITRILE, (O-BROMOPHENYL)ACETONITRILE, 2-(O-BROMOPHENYL)ACETONITRILE, UN 1694, DTXCID8036100, bvcojesiqpnoif-uhfffaoysa-n, inchi=1/c8h6brn/c9-8-4-2-1-3-7(8)5-6-10/h1-4h,5h, 2-(2-bromophenyl)acetonitrile, o-Bromobenzyl cyanide, o-bromophenylacetonitrile, Benzeneacetonitrile, 2-bromo-, 2-(2-bromophenyl)ethanenitrile, MFCD00001896, ACETONITRILE, (o-BROMOPHENYL)-, Benzeneacetonitrile, bromo-, (2-bromo-phenyl)-acetonitrile, 2- bromophenylacetonitrile, 2-bromo-phenylacetonitrile, 2-bromophenyl acetonitrile, 2-bromophenyl-acetonitrile, SCHEMBL6299, (2-Bromophenyl)-acetonitrile, SCHEMBL7860971, 2-Bromophenylacetonitrile, 97%, AC-156, NSC338412, SBB055165, AKOS000151318, AB00169, AB10428, CS-W019568, FB37199, TS-02772, DB-044869, B1928, NS00026346, ST50406024, A813746

2-Bromobenzyl cyanide serves as a key building block in heterocyclic synthesis, particularly for indole and quinoline derivatives. The compound is valuable in palladium-catalyzed cross-coupling reactions for pharmaceutical intermediates. Researchers utilize it in the preparation of liquid crystal materials and nonlinear optical compounds. The bromine moiety allows for further functionalization while the nitrile group offers additional reactivity options. Proper fume hood use is essential when handling this compound.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (10.9%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (18.2%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (81.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (18.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (81.8%): 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]
• H331 (18.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (81.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (18.2%)
• Acute Tox. 4 (81.8%)
• Acute Tox. 3 (18.2%)
• Acute Tox. 4 (81.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 3 (18.2%)
• Acute Tox. 4 (81.8%)
• STOT SE 3 (100%)

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