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1-(2-bromoethyl)-2,3,4-trifluorobenzene - 97%, high purity , CAS No.887586-25-6

COA

Grade & Purity:

≥97%

Cas Number: 887586-25-6
Molecular Weight: 239.035
PubChem CID: 18673261

In stock

Item Number

B178007

Grouped product items
SKU	Size	Availability	Price	Qty
B178007-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,335.90

Basic Description

Synonyms	1-(2-bromoethyl)-2,3,4-trifluorobenzene \| 887586-25-6 \| MFCD09029220 \| SCHEMBL3648503 \| DTXSID801277864 \| AKOS012263857 \| SB21863 \| AS-52925 \| SY322950 \| CS-0052914 \| P15878 \| EN300-1913420
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 Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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-(2-bromoethyl)-2,3,4-trifluorobenzene
INCHI	InChI=1S/C8H6BrF3/c9-4-3-5-1-2-6(10)8(12)7(5)11/h1-2H,3-4H2
InChIKey	ODZDQVMPZAEHOG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1CCBr)F)F)F
Isomeric SMILES	C1=CC(=C(C(=C1CCBr)F)F)F
Molecular Weight	239.035
Reaxy-Rn	54038551
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54038551&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	239.030 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	237.96 Da
Monoisotopic Mass	237.96 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142.000
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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