Description

(Hydroxyimino)(phenyl)acetonitrile (CAS: 825-52-5) is a high-purity organic compound with the molecular formula C₈H₆N₂O. This specialized chemical is widely utilized in pharmaceutical and agrochemical research due to its unique iminonitrile functional group, which serves as a versatile intermediate in heterocyclic synthesis. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a white to off-white crystalline powder. It is packaged under inert atmosphere to ensure stability and is available in quantities ranging from grams to multi-kilogram batches for both laboratory and industrial-scale applications. Suitable for use in nucleophilic addition reactions, metal-catalyzed cross-coupling, and as a building block for bioactive molecules.

Properties

• CAS Number: 825-52-5
• Complexity: 195
• IUPAC Name: (2E)-2-hydroxyimino-2-phenyl-acetonitrile
• InChI: InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H/b10-8-
• InChI Key: MJCQFBKIFDVTTR-NTMALXAHSA-N
• Exact Mass: 146.048012819
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.15
• SMILES: C1=CC=C(C=C1)/C(=NO)/C#N
• Topological: 56.4
• Monoisotopic Mass: 146.048012819
• Synonyms: (hydroxyimino)(phenyl)acetonitrile, 825-52-5, (Hydroxyimino)phenylacetonitrile, alpha-(hydroxyimino)benzeneacetonitrile, CHEBI:38842, 212-546-9, N-Hydroxybenzimidoyl cyanide, (2E)-2-hydroxyimino-2-phenylacetonitrile, 2-hydroxyimino-2-phenylacetonitrile, (E)-N-Hydroxybenzimidoyl cyanide, 7541-03-9, Oximinophenylacetonitrile, N-hydroxybenzenecarboximidoyl cyanide, MFCD00035803, EINECS 212-546-9, (2Z)-(Hydroxyimino)(phenyl)acetonitrile, Benzeneacetonitrile, alpha-(hydroxyimino)-, SCHEMBL44323, (E)-benzenecarbonimidoyl cyanide, MJCQFBKIFDVTTR-CSKARUKUSA-N, AKOS006228685, AT39620, AS-59624, CS-0455918, Q27117991

This compound is primarily employed as a key synthetic intermediate for pharmaceuticals, particularly in the development of CNS-active compounds and antiviral agents. Researchers utilize it in the preparation of heterocyclic scaffolds through [3+2] cycloaddition reactions. In material science, it serves as a precursor for photoactive polymers. The oximino group makes it valuable for chelating metal catalysts in asymmetric synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (51.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (51.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (51.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (48.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (51.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (51.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (51.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (48.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (51.9%)
• Acute Tox. 4 (51.9%)
• Skin Irrit. 2 (51.9%)
• Eye Dam. 1 (48.1%)
• Eye Irrit. 2 (51.9%)
• Acute Tox. 4 (51.9%)
• STOT SE 3 (51.9%)
• Aquatic Chronic 3 (48.1%)

If you are interested or have any questions, please contact us at support@atomfair.com

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