Cas no 220228-03-5 (2-(3,4,5-trifluorophenyl)acetonitrile)

2-(3,4,5-Trifluorophenyl)acetonitrile is a fluorinated aromatic nitrile compound with the molecular formula C?H?F?N. This intermediate is particularly valuable in pharmaceutical and agrochemical synthesis due to the electron-withdrawing properties of the trifluorophenyl group, which enhances reactivity in nucleophilic substitution and cross-coupling reactions. Its high purity and stability make it suitable for use in fine chemical applications, including the preparation of active pharmaceutical ingredients (APIs) and advanced materials. The presence of fluorine atoms also improves metabolic stability and bioavailability in drug development. The compound is typically handled under controlled conditions due to its nitrile functionality, requiring proper safety measures during storage and use.

2-(3,4,5-trifluorophenyl)acetonitrile structure

220228-03-5 structure

Product Name:2-(3,4,5-trifluorophenyl)acetonitrile

CAS No:220228-03-5

MF:C₈H₄F₃N

MW:171.119272232056

MDL:MFCD00083531

CID:67018

PubChem ID:2777959

Update Time:2025-11-02

2-(3,4,5-trifluorophenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

- 3,4,5-(trifluorophenyl)acetonitrile
- 3,4,5-Trifluorophenyl acetonitrile
- 3,4,5-Trifluorobenzyl Cyanide
- 2-(3,4,5-trifluorophenyl)acetonitrile
- 2-(3,4,5-trifluorophenyl)ethanenitrile
- 3,4,5-Trifluorophenylacetonitrile
- AK156133
- 3,4,5-trifluorobenzyl
- PC7818O
- SBB088474
- (3,4,5-trifluorophenyl)acetonitrile
- TD1117
- 7510AD
- 3,4,5 - Trifluorophenylacetonitrile
- FCH919206
- Benzeneacetonitrile,3,4,5
- DS-8754
- FT-0614150
- AC-28603
- 220228-03-5
- MFCD00083531
- SCHEMBL1039622
- CS-W017660
- SY062506
- A815841
- AKOS005257817
- DTXSID40380732
- EN300-1838112
- benzeneacetonitrile, 3,4,5-trifluoro-
- MDL： MFCD00083531
- Inchi： 1S/C8H4F3N/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4H,1H2
- InChI Key： TVSLNRQODQRVJZ-UHFFFAOYSA-N
- SMILES： FC1C(=C(C=C(CC#N)C=1)F)F

Computed Properties

Exact Mass: 171.03000
Monoisotopic Mass: 171.03
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 186
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: 1.9
Topological Polar Surface Area: 23.8

Experimental Properties

Color/Form: Almond shaped white solid
Density: 1.334
Melting Point: 30-32°C
Boiling Point: 214.1±35.0 °C at 760 mmHg
Flash Point: 83.3±25.9 °C
Refractive Index: 1.468
PSA: 23.79000
LogP: 2.16998
Solubility: Insoluble in water

2-(3,4,5-trifluorophenyl)acetonitrile Security Information

Signal Word：warning
Hazard Statement： Toxic
Warning Statement： P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care
Hazardous Material transportation number：3276
Hazard Category Code： 20/21/22-36/37/38
Safety Instruction： S26-S36/37/39
Hazardous Material Identification：
HazardClass：6.1
PackingGroup：III
Packing Group：III
Hazard Level：6.1
Risk Phrases：R20/21/22
Packing Group：III
Safety Term：6.1
Storage Condition：Store at 4°C,-4At ℃Store…Better

2-(3,4,5-trifluorophenyl)acetonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-AZ153-250mg	2-(3,4,5-trifluorophenyl)acetonitrile	220228-03-5	97%	250mg	136CNY	2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-AZ153-1g	2-(3,4,5-trifluorophenyl)acetonitrile	220228-03-5	97%	1g	109.0CNY	2021-07-10
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	T138510-1g	2-(3,4,5-trifluorophenyl)acetonitrile	220228-03-5	≥98%	1g	￥78.90	2023-08-31
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	T138510-25g	2-(3,4,5-trifluorophenyl)acetonitrile	220228-03-5	≥98%	25g	￥1250.90	2023-08-31
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	T138510-5g	2-(3,4,5-trifluorophenyl)acetonitrile	220228-03-5	≥98%	5g	￥294.90	2023-08-31
Fluorochem	007701-250mg	3,4,5-Trifluorophenylacetonitrile	220228-03-5	97%	250mg	￡12.00	2022-03-01
Fluorochem	007701-1g	3,4,5-Trifluorophenylacetonitrile	220228-03-5	97%	1g	￡19.00	2022-03-01
Chemenu	CM251431-5g	2-(3,4,5-Trifluorophenyl)acetonitrile	220228-03-5	95%	5g	$163	2021-06-16
Chemenu	CM251431-10g	2-(3,4,5-Trifluorophenyl)acetonitrile	220228-03-5	95%	10g	$276	2021-06-16

2-(3,4,5-trifluorophenyl)acetonitrile Suppliers

Amadis Chemical Company Limited

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(CAS:220228-03-5)2-(3,4,5-trifluorophenyl)acetonitrile

Order Number:A815841

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Monday, 2 September 2024 16:08

Price ($):156.0

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Additional information on 2-(3,4,5-trifluorophenyl)acetonitrile

Comprehensive Overview of 2-(3,4,5-Trifluorophenyl)acetonitrile (CAS No. 220228-03-5)

2-(3,4,5-Trifluorophenyl)acetonitrile (CAS No. 220228-03-5) is a fluorinated organic compound widely used in pharmaceutical and agrochemical research. With the increasing demand for fluorinated building blocks in drug discovery, this compound has gained significant attention due to its unique chemical properties. Researchers often search for "2-(3,4,5-trifluorophenyl)acetonitrile synthesis" or "CAS 220228-03-5 applications," highlighting its importance in modern chemistry.

The molecular structure of 2-(3,4,5-trifluorophenyl)acetonitrile features a benzene ring substituted with three fluorine atoms at the 3, 4, and 5 positions, along with an acetonitrile group. This configuration enhances its reactivity, making it valuable for constructing complex molecules. Many scientists inquire about "fluorinated phenylacetonitrile derivatives" or "how to purify 2-(3,4,5-trifluorophenyl)acetonitrile," reflecting its role in synthetic chemistry.

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The synthesis of 2-(3,4,5-trifluorophenyl)acetonitrile typically involves halogenation and cyanation reactions, topics frequently searched as "preparation of trifluorophenylacetonitrile." Recent advancements in green chemistry have spurred interest in "eco-friendly synthesis of fluorinated nitriles," aligning with global sustainability trends. Proper handling and storage are essential, as users often seek "safety data for CAS 220228-03-5."

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In conclusion, 2-(3,4,5-trifluorophenyl)acetonitrile (CAS No. 220228-03-5) is a pivotal compound in modern chemical research. Its fluorinated structure and functional group diversity cater to diverse industrial needs, from pharmaceuticals to advanced materials. By addressing popular search terms like "uses of trifluorophenylacetonitrile" and "chemical properties of 220228-03-5," this overview provides valuable insights for researchers and industry professionals alike.

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