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2-Chloro-6-fluoro-beta-nitrostyrene - 98%, high purity , CAS No.116272-78-7

COA

Grade & Purity:

≥98%

Cas Number: 116272-78-7
Molecular Weight: 201.57
MDL number: MFCD00053064
PubChem CID: 688241

In stock

Item Number

C299784

Grouped product items
SKU	Size	Availability	Price	Qty
C299784-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
C299784-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$291.90

Discover 2-Chloro-6-fluoro-beta-nitrostyrene by Aladdin Scientific in 98% for only $80.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	116272-78-7 \| 60610-68-6 \| (E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene \| 1-chloro-3-fluoro-2-[(E)-2-nitroethenyl]benzene \| 2-CHLORO-6-FLUORO-OMEGA-NITROSTYRENE \| 1-(2-Chloro-6-fluorophenyl)-2-nitroethene \| 2-chloro-6-fluoro-beta-nitrostyrene \| 1-Chloro-3-fluoro-2-(2-
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Styrenes
Intermediate Tree Nodes	Not available
Direct Parent	Styrenes
Alternative Parents	Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Styrene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
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	1-chloro-3-fluoro-2-[(E)-2-nitroethenyl]benzene
INCHI	InChI=1S/C8H5ClFNO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+
InChIKey	JCIAIKBVPVMTBD-SNAWJCMRSA-N
Smiles	C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])F
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)/C=C/[N+](=O)[O-])F
Molecular Weight	201.57
Reaxy-Rn	2265309
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2265309&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	201.580 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	200.999 Da
Monoisotopic Mass	200.999 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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