Cas no 10461-98-0 (Benzeneacetonitrile, a-cyclohexylidene-)
Benzeneacetonitrile, α-cyclohexylidene- is a specialized organic compound featuring a cyclohexylidene group attached to the α-carbon of a benzeneacetonitrile structure. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of more complex molecules, such as pharmaceuticals or agrochemicals. The cyclohexylidene moiety imparts steric and electronic effects that can influence reactivity in subsequent transformations. Its nitrile group offers versatility for further functionalization, including hydrolysis to carboxylic acids or reduction to amines. The compound's stability and defined structure make it suitable for controlled synthetic applications, particularly in fine chemical synthesis and research settings.
10461-98-0 structure
Product Name:Benzeneacetonitrile, a-cyclohexylidene-
CAS No:10461-98-0
MF:C14H15N
MW:197.275603532791
CID:169284
Update Time:2025-10-23
Benzeneacetonitrile, a-cyclohexylidene- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-cyclohexylidene-
- 2-cyclohexylidene-2-phenylacetonitrile
- cyclohexylidene-phenyl-acetonitrile
- Cyclohexyliden-phenyl-acetonitril
- D1,a-Cyclohexaneacetonitrile, a-phenyl- (6CI,7CI,8CI)
- NSC 408284
- Peonile
- 2-CYCLOHEXYLIDEN-2-PHENYLACETONITRILE
- α-Cyclohexylidene benzeneacetonitrile
- Benzolacetonitril, alpha-Cyclohexyliden
- 2-cyclohexylidene-2-phenyl-acetonitrile
- ALPHA-Cyclohexylidenebenzeneacetonitrile
- 2-CYCLOHEXYLIDENE-2-PHENYL-ACETONITRILE OR PEONILE,97.5%, GLC
-
- Inchi： 1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
- InChI Key： ZHOOOLQOWQVYOE-UHFFFAOYSA-N
- SMILES： C1=C(/C(=C2\CCCCC\2)/C#N)C=CC=C1
Computed Properties
- Exact Mass: 197.12000
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
Experimental Properties
- PSA: 23.79000
- LogP: 3.92788
Benzeneacetonitrile, a-cyclohexylidene- Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzeneacetonitrile, a-cyclohexylidene- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Aaron | AR0086IC-5g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 95% | 5g |
$5.00 | 2025-02-11 | |
| Aaron | AR0086IC-25g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 95% | 25g |
$13.00 | 2025-02-11 | |
| Aaron | AR0086IC-100g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 95% | 100g |
$39.00 | 2025-02-11 | |
| 1PlusChem | 1P0086A0-5g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 98% | 5g |
$36.00 | 2023-12-26 | |
| 1PlusChem | 1P0086A0-25g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 98% | 25g |
$54.00 | 2023-12-26 | |
| 1PlusChem | 1P0086A0-100g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 98% | 100g |
$106.00 | 2023-12-26 | |
| A2B Chem LLC | AD80584-5g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 95%;RG | 5g |
$15.00 | 2024-04-20 | |
| A2B Chem LLC | AD80584-25g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 95%;RG | 25g |
$25.00 | 2024-04-20 | |
| A2B Chem LLC | AD80584-100g |
Benzeneacetonitrile, a-cyclohexylidene- |
10461-98-0 | 95%;RG | 100g |
$55.00 | 2024-04-20 |
Benzeneacetonitrile, a-cyclohexylidene- Related Literature
-
John Alexander McRae,Richard Helmuth Fred Manske J. Chem. Soc. 1928 484
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