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4-Bromo-2-fluoro-3-methylbenzonitrile - 97%, high purity , CAS No.1114546-30-3

COA

Grade & Purity:

≥97%

Cas Number: 1114546-30-3
Molecular Weight: 214.03
PubChem CID: 59556913

In stock

Item Number

B189701

Grouped product items
SKU	Size	Availability	Price	Qty
B189701-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
B189701-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90

Discover 4-Bromo-2-fluoro-3-methylbenzonitrile by Aladdin Scientific in 97% for only $39.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-bromo-2-fluoro-3-methylbenzonitrile \| 1114546-30-3 \| 4-bromo-2-fluoro-3-methyl-benzonitrile \| MFCD23707391 \| SCHEMBL152425 \| PWISOHRBGSJIPW-UHFFFAOYSA-N \| DTXSID501286282 \| AKOS024462738 \| 2-Fluoro-4-Bromo-3-Methylbenzonitrile \| DS-7440 \| SB30687 \| SY114926 \| FT-0728564 \| C71380
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Toluenes Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Toluene - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - 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

IUPAC Name	4-bromo-2-fluoro-3-methylbenzonitrile
INCHI	InChI=1S/C8H5BrFN/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
InChIKey	PWISOHRBGSJIPW-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1F)C#N)Br
Isomeric SMILES	CC1=C(C=CC(=C1F)C#N)Br
Molecular Weight	214.03
Reaxy-Rn	18789934
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18789934&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.030 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	212.959 Da
Monoisotopic Mass	212.959 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	186.000
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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