Shandong Huashang Chemical Co., Ltd. is a high-tech enterprise focused on industry of fine chemicals research and develop, produce and sale. Shandong Huashang Chemical Co., Ltd. is located in Shan Dong Ji Nan China. we have the ability to provide you high quality products. More than 90 % of our products are exported to developed countries and regions such as north America, Europe, Japan, South Korea and the Middle East.
1. Basic Information
Name: 2-(2-Chlorophenyl)cyclohexanone
Alias: 2-(2-Chlorophenyl)cyclohexan-1-one
CAS No.: 91393-49-6
Molecular Formula: C??H??ClO
Molecular Weight: 208.69
SMILES: O=C1CCCCC1c1ccccc1Cl
InChIKey: UOEXWLLNMGAJDD-UHFFFAOYSA-N
2. Physical and Chemical Properties
Physical Properties
- Appearance: White crystalline solid / fine powder
- Odor: Mild aromatic ketone odor
- Solubility: Insoluble in water; freely soluble in ethanol, methanol, dichloromethane, chloroform, toluene, acetone; slightly soluble in hexane and other aliphatic solvents
- Melting Point: 60–62 °C
- Predicted Boiling Point: 308.8 ± 42.0 °C
- Predicted Density: 1.165 ± 0.06 g/cm3 (20 °C)
- Flash Point: ~167 °C
- LogP: 3.3–3.57, strong lipophilicity
- Hygroscopicity: Non-hygroscopic under normal ambient humidity
- Vapor Pressure: Near 0 mmHg at room temperature, low volatility
Chemical Properties
- Molecular structure: Disubstituted cyclohexanone with ortho-chlorophenyl group at the α-position of carbonyl; contains aliphatic ketone and aryl chloride functional groups
- Ketone reactivity: Carbonyl group undergoes aldol condensation, reduction, imine formation, reductive amination and nucleophilic addition reactions
- Aromatic ring characteristics: Ortho-chloro substituent adjusts electron density of benzene ring for electrophilic aromatic substitution
- Thermal stability: Stable below 220 °C; slight decomposition above boiling point without obvious carbonization
- Photostability: Stable under normal indoor light; avoid long-term intense UV irradiation to prevent minor discoloration
- Halogen stability: Aryl C-Cl bond is chemically inert under neutral/mild acid-base conditions; dechlorination only occurs under strong reduction or high-temperature alkaline hydrolysis
- Compatibility: Compatible with all common anhydrous organic solvents; incompatible with strong oxidants, concentrated strong alkali and strong reducing agents
3. Main Application Fields
1. Pharmaceutical Synthetic Intermediate (Core Application)
- Key building block for synthesizing central nervous system drugs, antidepressants and analgesic API intermediates via carbonyl derivatization and ring modification
- Precursor for chiral amine and heterocyclic pharmaceutical molecules through reductive amination and cyclization reactions
2. Fine Chemical & Organic Synthesis Reagent
- Raw material for asymmetric synthesis research, chiral catalyst ligand preparation
- Intermediate for custom fine chemicals, pesticide and dye molecule synthesis
3. Laboratory Research Standard
Reference compound for GC/HPLC chromatographic calibration of chlorinated aromatic ketones; tool substrate for organic mechanism research
4. Polymer Modification Auxiliary
Monomer additive to adjust polymer hydrophobicity and thermal stability in specialty resin synthesis
4. Quality Specification Table
| Test Item | Standard Index |
| CAS Number | 91393-49-6 |
| Molecular Formula | C??H??ClO |
| Molecular Weight | 208.69 |
| Appearance | White crystalline powder |
| HPLC Purity | Synthetic Grade ≥97.0%; High Purity Grade ≥99.5% |
| Melting Range | 60–62 °C |
| Water Content (KF) | ≤0.10% |
| Residue on Ignition | ≤0.05% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | Aluminum foil vacuum bag / 25kg PE-lined fiber drum |
| Storage Condition | Hermetic cool dry warehouse below 25 °C; light-proof sealed storage |
| Transportation Requirement | Lipophilic chlorinated aromatic solid, dust-proof sealed packaging |
| Shelf Life | 24 months under intact sealed light-proof packaging |
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