Description

1-Cyano-1-hydroxycyclohexane (CAS No. 931-97-5), also known as 1-hydroxycyclohexane-1-carbonitrile, is a high-purity organic compound with the molecular formula C₇H₁₁NO. This versatile chemical intermediate features a cyclohexane ring substituted with both a hydroxyl (-OH) and a cyano (-CN) group at the same carbon, making it a valuable building block in synthetic organic chemistry. Our product is rigorously tested to ensure exceptional quality, with typical purity levels exceeding 98% (GC analysis). Supplied as a clear to pale yellow liquid, it should be stored under inert atmosphere at 2-8°C to maintain stability. This compound is particularly useful in pharmaceutical research and fine chemical synthesis, where its unique structure enables diverse transformations. Available in quantities from grams to kilograms to meet both research and production needs.

Properties

• CAS Number: 931-97-5
• Complexity: 138
• IUPAC Name: 1-hydroxycyclohexanecarbonitrile
• InChI: InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2
• InChI Key: ZDBRPNZOTCHLSP-UHFFFAOYSA-N
• Exact Mass: 125.084063974
• Molecular Formula: C7H11NO
• Molecular Weight: 125.17
• SMILES: C1CCC(CC1)(C#N)O
• Topological: 44
• Monoisotopic Mass: 125.084063974
• Physical Description: Cyclohexanone cyanohydrin is a brown solid.
• Boiling Point: 228 to 235 °F at 9 mmHg
• Melting Point: 93 to 97 °F
• Solubility: 10 to 50 mg/mL at 74.3 °F
• Synonyms: 931-97-5, 1-Hydroxycyclohexanecarbonitrile, Cyclohexanone cyanohydrin, 1-Hydroxy-1-cyclohexanecarbonitrile, 1-hydroxycyclohexane-1-carbonitrile, 1-Cyano-1-hydroxycyclohexane, Cyclohexanone, cyanohydrin, Cyclohexanecarbonitrile, 1-hydroxy-, NSC 14493, NSC 52190, CCRIS 4608, 1-Hydroxycycloheptanecarbonitrile, EINECS 213-246-0, BRN 1634973, DTXSID2024878, AI3-37039, ON43942N5P, NSC-14493, NSC-52190, DTXCID304878, 4-10-00-00021 (Beilstein Handbook Reference), 1-Hydroxy-cyclohexanecarbonitrile, MFCD00003818, UNII-ON43942N5P, Cyclohexanoncyanhydrin, cyclohexanone cyanhydrin, SCHEMBL18010, SCHEMBL6715638, Cyclohexanone cyanohydrin, 98%, CHEMBL1569015, Cyclohexanecarbonitrile,1-hydroxy-, ALBB-032350, NSC14493, NSC52190, 1-oxidanylcyclohexane-1-carbonitrile, Tox21_200377, 1-hydroxy-cyclohexane-1-carbonitrile, AKOS009157962, SB84201, NCGC00091113-01, NCGC00091113-02, NCGC00257931-01, AC-18710, CAS-931-97-5, LS-11974, SY107312, DB-057379, CS-0312430, NS00039531, ST51038182, F53384, A844473, Q27285744

Application

1-Cyano-1-hydroxycyclohexane serves as a key intermediate in the synthesis of various pharmaceutical compounds, particularly those containing cyclohexane frameworks. It finds application in the preparation of chiral building blocks for drug discovery programs. The compound’s reactive hydroxyl and cyano groups make it valuable for creating diverse molecular architectures through nucleophilic addition or substitution reactions. Researchers also utilize it in the development of novel materials and specialty chemicals.

Safety and Hazards

GHS Hazard Statements

• H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
• H310 (56.6%): Fatal in contact with skin [Danger Acute toxicity, dermal]
• H315 (56.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (56.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (56.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (56.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H400 (60.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (60.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 2 (100%)
• Acute Tox. 1 (56.6%)
• Skin Irrit. 2 (56.6%)
• Eye Irrit. 2 (56.6%)
• Acute Tox. 1 (56.6%)
• Aquatic Acute 1 (60.6%)
• Aquatic Chronic 1 (60.6%)

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