Cas no 730964-63-3 (1-fluoro-3-(2-isocyanoethyl)benzene)
1-Fluoro-3-(2-isocyanoethyl)benzene is a fluorinated aromatic isocyanide compound with the molecular formula C9H8FN. Its key structural features include a reactive isocyano (–NC) group attached to an ethyl linker and a fluorine substituent on the benzene ring, making it a versatile intermediate in organic synthesis. The isocyanide functionality enables its use in multicomponent reactions (e.g., Ugi or Passerini reactions), while the fluorine atom enhances its utility in pharmaceutical and agrochemical applications by influencing electronic and steric properties. The compound’s stability and compatibility with diverse reaction conditions make it valuable for constructing complex heterocycles and functionalized aromatic systems. Proper handling under inert conditions is recommended due to the isocyanide’s sensitivity.
730964-63-3 structure
Product Name:1-fluoro-3-(2-isocyanoethyl)benzene
CAS No:730964-63-3
MF:C9H8FN
MW:149.164925575256
CID:559228
PubChem ID:2759053
Update Time:2025-06-07
1-fluoro-3-(2-isocyanoethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-fluoro-3-(2-isocyanoethyl)-
- 1-Fluoro-3-(2-isocyanoethyl)benzene
- 3-FLUOROPHENETHYLISOCYANIDE
- Benzenepropanenitrile, 3-fluoro-
- 4-(Pyrrolidin-1-ylsulfonyl)benzoicacid
- 3-fluorophenethyl isocyanide
- MFCD04117533
- AS-35512
- 730964-63-3
- DTXSID40374631
- FT-0691219
- 3-fluorophenethylisocyanide, AldrichCPR
- AKOS006280934
- EN300-69932
- DB-074660
- 1-fluoro-3-(2-isocyanoethyl)benzene
-
- MDL： MFCD04117533
- Inchi： 1S/C9H8FN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7H,5-6H2
- InChI Key： RHCVUJNHSKYURR-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)CC[N+]#[C-]
Computed Properties
- Exact Mass: 149.06400
- Monoisotopic Mass: 149.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 2
- Topological Polar Surface Area: 4.4A^2
Experimental Properties
- PSA: 0.00000
- LogP: 1.51820
1-fluoro-3-(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%
1-fluoro-3-(2-isocyanoethyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B440023-10mg |
1-fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B440023-50mg |
1-fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B440023-100mg |
1-fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 100mg |
$ 230.00 | 2022-06-07 | ||
| Chemenu | CM329234-1g |
1-fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 95%+ | 1g |
$906 | 2022-06-10 | |
| eNovation Chemicals LLC | Y1258388-250mg |
Benzene,1-fluoro-3-(2-isocyanoethyl)- |
730964-63-3 | 95% | 250mg |
$710 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1258388-1g |
Benzene,1-fluoro-3-(2-isocyanoethyl)- |
730964-63-3 | 95% | 1g |
$1520 | 2024-06-07 | |
| Alichem | A019090159-250mg |
1-Fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 95% | 250mg |
$276.42 | 2023-09-01 | |
| Alichem | A019090159-1g |
1-Fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 95% | 1g |
$663.46 | 2023-09-01 | |
| Fluorochem | 021099-1g |
3-Fluorophenethylisocyanide |
730964-63-3 | 1g |
￡359.00 | 2022-03-01 | ||
| Enamine | EN300-69932-0.05g |
1-fluoro-3-(2-isocyanoethyl)benzene |
730964-63-3 | 95% | 0.05g |
$160.0 | 2023-02-12 |
1-fluoro-3-(2-isocyanoethyl)benzene Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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