Cas no 59795-89-0 ((2-Isocyanoethyl)-benzene)
(2-Isocyanoethyl)-benzene is an organic compound featuring a reactive isocyanide functional group attached to a phenethyl scaffold. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for multicomponent reactions such as Ugi or Passerini reactions, where it serves as an isocyanide component. Its stability and reactivity under mild conditions enable efficient construction of complex heterocycles and peptidomimetics. The aromatic phenyl group enhances solubility in organic solvents, facilitating handling in various synthetic protocols. Due to its versatility, (2-Isocyanoethyl)-benzene is widely used in medicinal chemistry and materials science for the development of novel compounds with tailored properties. Proper handling is required due to the potential lachrymatory effects of isocyanides.
(2-Isocyanoethyl)-benzene structure
Product Name:(2-Isocyanoethyl)-benzene
CAS No:59795-89-0
MF:C9H9N
MW:131.174462080002
MDL:MFCD02664670
CID:366487
PubChem ID:427710
Update Time:2025-10-13
(2-Isocyanoethyl)-benzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(2-isocyanoethyl)-
- (2-Isocyanoethyl)-benzene
- (2-ISOCYANOETHYL)BENZENE
- PHENYLETHYLISOCYANIDE
- 2-phenethyl isocyanide
- 2-PHENYLETHYL ISOCYANIDE
- 2-Phenylethylisocyanid
- HANSA ISN-0141
- Phenylethyl isocyanide(2-Isocyanoethyl)benzene
- AKOS001476361
- EN300-748837
- FT-0690299
- NSC-218003
- SCHEMBL1461571
- 2-isocyanoethylbenzene
- NSC218003
- MFCD02664670
- phenylethyl isocyanide
- 59795-89-0
- GEO-03927
- AS-35429
- STL511015
- Benzene, (2-isocyanoethyl)-; 1-Isocyano-2-phenylethane; 2-Phenylethyl isocyanide; Phenethyl isocyanide
- BBL100035
-
- MDL： MFCD02664670
- Inchi： 1S/C9H9N/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2
- InChI Key： XIJXCJCWHKUKAW-UHFFFAOYSA-N
- SMILES： [N+](#[C-])CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 131.07300
- Monoisotopic Mass: 131.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 125
- 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: nothing
- Topological Polar Surface Area: 4.4A^2
Experimental Properties
- Color/Form: Not available
- Density: 0.95
- Boiling Point: 52 °C (2.2503 mmHg)
- Refractive Index: 1.518-1.52
- PSA: 0.00000
- LogP: 1.37910
- Solubility: Not available
(2-Isocyanoethyl)-benzene Security Information
- Hazard Category Code： 36/37/38-20/21/22
- Safety Instruction： S26-S36-S37-S39
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
- Storage Condition：Cold storage (+4 ° C)
(2-Isocyanoethyl)-benzene 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%
(2-Isocyanoethyl)-benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 021092-1g |
Phenylethylisocyanide |
59795-89-0 | 95% | 1g |
￡200.00 | 2022-03-01 | |
| Fluorochem | 021092-2g |
Phenylethylisocyanide |
59795-89-0 | 95% | 2g |
￡332.00 | 2022-03-01 | |
| Fluorochem | 021092-5g |
Phenylethylisocyanide |
59795-89-0 | 95% | 5g |
￡731.00 | 2022-03-01 | |
| TRC | I809000-1g |
(2-Isocyanoethyl)-benzene |
59795-89-0 | 1g |
$ 228.00 | 2023-09-07 | ||
| TRC | I809000-10g |
(2-Isocyanoethyl)-benzene |
59795-89-0 | 10g |
$ 1694.00 | 2023-09-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I924069-1g |
(2-Isocyanoethyl)benzene |
59795-89-0 | 1g |
￥3,320.10 | 2022-01-10 | ||
| Apollo Scientific | OR480865-1g |
2-Isocyanoethylbenzene |
59795-89-0 | 95% | 1g |
￡200.00 | 2023-09-02 | |
| Apollo Scientific | OR480865-5g |
2-Isocyanoethylbenzene |
59795-89-0 | 95% | 5g |
￡731.00 | 2023-09-02 | |
| Key Organics Ltd | AS-35429-0.25g |
(2-isocyanoethyl)benzene |
59795-89-0 | >95% | 0.25g |
￡340.00 | 2025-02-08 | |
| eNovation Chemicals LLC | Y0990204-5g |
phenylethylisocyanide |
59795-89-0 | 95% | 5g |
$760 | 2025-02-20 |
(2-Isocyanoethyl)-benzene Related Literature
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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