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4-Fluorobenzonitrile - 99%, high purity , CAS No.1194-02-1

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4-Fluorobenzonitrile - 99%, high purity , CAS No.1194-02-1

5 Citations

COA

Grade & Purity:

≥99%

Cas Number: 1194-02-1
Molecular Weight: 121.11
Beilstein Registry Number: 2041517
EC Number: 214-784-9
MDL number: MFCD00001812
PubChem CID: 14517
PubChem SID: 504752566

In stock

Item Number

F120871

Grouped product items
SKU	Size	Availability	Price
F120871-5g	5g	5	$9.90
F120871-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$11.90
F120871-25g	25g	3	$22.90
F120871-100g	100g	3	$49.90
F120871-500g	500g	2	$201.90

View related series

Material synthetic block (276) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	p-Fluorobenzonitrile \| FT-0618512 \| EINECS 214-784-9 \| J-004121 \| 4-FLUORO-BENZOIC ACID-NITRILE \| SCHEMBL39936 \| EN300-16533 \| AM20020271 \| NCIOpen2_001282 \| 4-CYANOFLUOROBENZENE \| 4-fluorobenznitrile \| 4-luorobenzonitrile \| NSC 88330 \| 4-FLUOROBENZONITRI
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752566
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752566
IUPAC Name	4-fluorobenzonitrile
INCHI	InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey	AEKVBBNGWBBYLL-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C#N)F
Isomeric SMILES	C1=CC(=CC=C1C#N)F
WGK Germany	3
RTECS	DI4368500
Molecular Weight	121.11
Beilstein	2041517
Reaxy-Rn	2041517
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041517&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

15 results found

Lot Number	Certificate Type	Date	Item
E2406082	Certificate of Analysis	Mar 21, 2024	F120871
B2327350	Certificate of Analysis	Nov 14, 2022	F120871
B2327353	Certificate of Analysis	Nov 14, 2022	F120871
B2327344	Certificate of Analysis	Nov 14, 2022	F120871
B2327354	Certificate of Analysis	Nov 14, 2022	F120871
B2327346	Certificate of Analysis	Nov 14, 2022	F120871
L2418108	Certificate of Analysis	Nov 14, 2022	F120871
B2513068	Certificate of Analysis	Nov 14, 2022	F120871
F2325065	Certificate of Analysis	Mar 15, 2022	F120871
L2305150	Certificate of Analysis	Mar 15, 2022	F120871
E2203251	Certificate of Analysis	Mar 15, 2022	F120871
E2203250	Certificate of Analysis	Mar 15, 2022	F120871
E2203252	Certificate of Analysis	Mar 15, 2022	F120871
E2203248	Certificate of Analysis	Mar 15, 2022	F120871
E2203249	Certificate of Analysis	Mar 15, 2022	F120871

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Chemical and Physical Properties

Solubility	Insoluble in water.
Flash Point(°F)	149 °F
Flash Point(°C)	65°(149°F)
Boil Point(°C)	186-188°C
Melt Point(°C)	34-37°C
Molecular Weight	121.110 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	121.033 Da
Monoisotopic Mass	121.033 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Ting Lian, Wei Liu, Yi Li, Yonggang Yang. (2023) Molecular packing structural transition driven handedness inversion of circularly polarized luminescence of phenothiazine substituted Phe–Phe dipeptides. NEW JOURNAL OF CHEMISTRY, 47 (2): (653-659).
2. Lv Xiao-Jing, Xu Li-Bin, Qian Liang, Yang Yuan-Yuan, Xu Zhi-Yi, Li Jin, Zhang Cheng. (2021) A Conjugated Copolymer Bearing Imidazolium-based Ionic Liquid: Electrochemical Synthesis and Electrochromic Properties. CHINESE JOURNAL OF POLYMER SCIENCE, 39 (5): (537-544).
3. Chang Su, Pengju Guo, Lihuan Xu. (2020) Preparation of Li (tri-(4-carboxyphenyl) amine) doped polypyrrole as cathode material of lithium ion batteries and its electrochemical performances. SOLID STATE IONICS, 349 (115295).
4. Kun Zhang, Kai Yang, Shiyun Ai, Jing Xu. (2017) Synthesis of novel cross-linked s-triazine-containing poly(aryl ether)s nanoparticles for biological fluorescent labeling. DESIGNED MONOMERS AND POLYMERS,
5. Weiyu Zhang, Wenwen Wang, Dong Xie, Jie Li, Hong Li, Jingxuan Dai, Yi Tang, Tianqi Yang, Weiyi Jin, Panpan Zhou, Chenliang Gong. (2024) Sulfonating and polyhedral oligomeric silsesquioxane crosslinking in one step to build multiple proton pathways for proton exchange membrane fuel cells over a wide temperature range. JOURNAL OF POWER SOURCES, 623 (235410).

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