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2-Fluorobenzonitrile - >99.0%(GC), high purity , CAS No.394-47-8

COA

Grade & Purity:

≥99%(GC)

Cas Number: 394-47-8
Molecular Weight: 121.11
Beilstein Registry Number: 2042184
EC Number: 206-897-7
MDL number: MFCD00001773
PubChem CID: 67855
PubChem SID: 488184026

In stock

Item Number

F120868

Grouped product items
SKU	Size	Availability	Price
F120868-5g	5g	3	$16.90
F120868-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$25.90
F120868-25g	25g	3	$48.90
F120868-100g	100g	2	$174.90
F120868-250g	250g	3	$392.90
F120868-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$706.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	2-Fluorobenzonitrile \| 2-fluoro-benzonitrile \| EINECS 206-897-7 \| NSC88278 \| NSC-88278 \| Benzonitrile, 2-fluoro- \| NSC 88278 \| F0001-1108 \| 2-FLUOROBENZONITRIL \| C2EJ9H4G6R \| DTXSID6059942 \| 2-Fluorobenzonitrile, 98% \| SCHEMBL100446 \| AC-2971 \| 2-FLUORO-B
Specifications & Purity	≥99%(GC)
Shipped In	Normal
Product Description	2-Fluorobenzonitrile reacts with lithium N,N-dialkylaminoborohydride reagent to yield 2-(N,N-dialkylamino)benzylamines

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

Names and Identifiers

Pubchem Sid	488184026
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184026
IUPAC Name	2-fluorobenzonitrile
INCHI	InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey	GDHXJNRAJRCGMX-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C#N)F
Isomeric SMILES	C1=CC=C(C(=C1)C#N)F
WGK Germany	3
Molecular Weight	121.11
Beilstein	2042184
Reaxy-Rn	2042184
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042184&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.

18 results found

Lot Number	Certificate Type	Date	Item
I2424342	Certificate of Analysis	Jun 27, 2024	F120868
I2424343	Certificate of Analysis	Jun 27, 2024	F120868
A2506112	Certificate of Analysis	Jun 25, 2024	F120868
A2506113	Certificate of Analysis	Jun 25, 2024	F120868
A2013058	Certificate of Analysis	Nov 01, 2023	F120868
G1919099	Certificate of Analysis	May 08, 2023	F120868
G1919115	Certificate of Analysis	May 08, 2023	F120868
G1919114	Certificate of Analysis	May 08, 2023	F120868
B2224326	Certificate of Analysis	Feb 08, 2022	F120868
B2225010	Certificate of Analysis	Feb 08, 2022	F120868
G2314122	Certificate of Analysis	Feb 08, 2022	F120868
B2224390	Certificate of Analysis	Feb 08, 2022	F120868
B2224245	Certificate of Analysis	Feb 08, 2022	F120868
B2224459	Certificate of Analysis	Feb 08, 2022	F120868
E2322611	Certificate of Analysis	Feb 08, 2022	F120868
D2521050	Certificate of Analysis	Feb 08, 2022	F120868
B2225012	Certificate of Analysis	Feb 08, 2022	F120868
C1828152	Certificate of Analysis	Jan 27, 2022	F120868

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Chemical and Physical Properties

Refractive Index	1.507
Flash Point(°F)	165.2 °F
Flash Point(°C)	73°(163°F)
Boil Point(°C)	196-198°C
Molecular Weight	121.110 g/mol
XLogP3	1.500
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	135.000
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

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