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2-Bromo-6-fluorobenzonitrile - 97%, high purity , CAS No.79544-27-7

COA

Grade & Purity:

≥97%

Cas Number: 79544-27-7
Molecular Weight: 200.01
MDL number: MFCD06797753
PubChem CID: 2783139
PubChem SID: 488193917

In stock

Item Number

B120855

Grouped product items
SKU	Size	Availability	Price
B120855-5g	5g	4	$34.90
B120855-10g	10g	2	$62.90
B120855-25g	25g	4	$139.90
B120855-100g	100g	1	$502.90

View related series

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

Basic Description

Synonyms	J-509190 \| Benzonitrile, 2-bromo-6-fluoro- \| EN300-131416 \| BBL101572 \| 2-Bromo-6-fluorobenzonitrile \| 2-bromo-6-fluoro-benzonitrile \| DTXSID60382455 \| OCTYLCAPRATE \| B3183 \| SY016329 \| AM61668 \| 2-Bromo-6-fluorobenzonitrile, 97% \| PS-8220 \| AKOS005259551
Specifications & Purity	≥97%
Storage Temp	Argon charged
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 Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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	488193917
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193917
IUPAC Name	2-bromo-6-fluorobenzonitrile
INCHI	InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey	IELGUZKHALDFOO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Br)C#N)F
Isomeric SMILES	C1=CC(=C(C(=C1)Br)C#N)F
WGK Germany	3
Molecular Weight	200.01
Reaxy-Rn	4971528
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4971528&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.

12 results found

Lot Number	Certificate Type	Date	Item
B1421075	Certificate of Analysis	Jun 16, 2025	B120855
K2215591	Certificate of Analysis	Feb 17, 2025	B120855
K2215587	Certificate of Analysis	Aug 23, 2024	B120855
K2215588	Certificate of Analysis	Aug 23, 2024	B120855
K2215590	Certificate of Analysis	Aug 23, 2024	B120855
K2215589	Certificate of Analysis	Aug 13, 2024	B120855
A2408248	Certificate of Analysis	Nov 23, 2023	B120855
A2408237	Certificate of Analysis	Nov 23, 2023	B120855
A2408238	Certificate of Analysis	Nov 23, 2023	B120855
A2408249	Certificate of Analysis	Nov 23, 2023	B120855
A2408250	Certificate of Analysis	Nov 23, 2023	B120855
H1412159	Certificate of Analysis	May 11, 2022	B120855

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Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	61°C
Molecular Weight	200.010 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	198.943 Da
Monoisotopic Mass	198.943 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162.000
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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