Cas no 244221-04-3 (1-fluoro-4-(2-isocyanoethyl)benzene)

1-Fluoro-4-(2-isocyanoethyl)benzene is a fluorinated aromatic compound featuring an isocyanoethyl functional group. This structure combines the reactivity of an isocyanide with the electronic effects of a fluorine substituent, making it a versatile intermediate in organic synthesis. The isocyano group enables participation in multicomponent reactions, such as Ugi or Passerini reactions, while the fluorine atom can influence regioselectivity and stability in subsequent transformations. The compound is particularly valuable in medicinal chemistry and materials science for constructing complex molecular architectures. Its stability under standard conditions and compatibility with various reaction conditions enhance its utility in diverse synthetic applications. Proper handling is advised due to the potential toxicity of isocyanides.

1-fluoro-4-(2-isocyanoethyl)benzene structure

244221-04-3 structure

Product Name:1-fluoro-4-(2-isocyanoethyl)benzene

CAS No:244221-04-3

MF:C₉H₈FN

MW:149.164925575256

CID:245855

PubChem ID:2759054

Update Time:2025-10-17

1-fluoro-4-(2-isocyanoethyl)benzene Chemical and Physical Properties

Names and Identifiers

- Benzene,1-fluoro-4-(2-isocyanoethyl)-
- 1-Fluoro-4-(2-isocyanoethyl)benzene
- 1-FLUORO-4-(2-ISOCYANOETHYL)-BENZENE
- 4-FLUOROPHENETHYLISOCYANIDE
- 2-(4-Fluorophenyl)ethyl isocyanide
- Benzene, 1-fluoro-4-(2-isocyanoethyl)- (9CI)
- GS-0086
- 244221-04-3
- EN300-1868036
- DTXSID00374632
- SCHEMBL8200883
- AKOS006279415
- 1-Fluoro-4-(2-isocyanoethyl)benzene, AldrichCPR
- FT-0703161
- 1-fluoro-4-(2-isocyanoethyl)benzene
- MDL： MFCD02664673
- Inchi： 1S/C9H8FN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7H2
- InChI Key： QPHTVJAWYCEJSG-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)CC[N+]#[C-]

Computed Properties

Exact Mass: 149.06414
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: 150
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
XLogP3: 1.8
Topological Polar Surface Area: 4.4A^2

Experimental Properties

PSA: 4.36
LogP: 1.51820

1-fluoro-4-(2-isocyanoethyl)benzene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	021100-1g	4-Fluorophenethylisocyanide	244221-04-3		1g	￡359.00	2022-03-01
Fluorochem	021100-2g	4-Fluorophenethylisocyanide	244221-04-3		2g	￡558.00	2022-03-01
Alichem	A019090155-1g	1-Fluoro-4-(2-isocyanoethyl)benzene	244221-04-3	95%	1g	$650.00	2023-09-02
Enamine	EN300-1868036-1g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		1g	$986.0	2023-09-18
Enamine	EN300-1868036-5g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		5g	$2858.0	2023-09-18
Enamine	EN300-1868036-10g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		10g	$4236.0	2023-09-18
Enamine	EN300-1868036-0.05g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		0.05g	$827.0	2023-09-18
Enamine	EN300-1868036-0.1g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		0.1g	$867.0	2023-09-18
Enamine	EN300-1868036-0.25g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		0.25g	$906.0	2023-09-18
Enamine	EN300-1868036-0.5g	1-fluoro-4-(2-isocyanoethyl)benzene	244221-04-3		0.5g	$946.0	2023-09-18

1-fluoro-4-(2-isocyanoethyl)benzene Suppliers

Amadis Chemical Company Limited

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(CAS:244221-04-3)1-fluoro-4-(2-isocyanoethyl)benzene

Order Number:A898357

Stock Status:in Stock

Quantity:1g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 12:02

Price ($):399.0

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Related Categories

Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Halobenzenes Fluorobenzenes

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