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2-Bromo-1,3,4-trifluorobenzene - 97%, high purity , CAS No.176793-04-7

COA

Grade & Purity:

≥97%

Cas Number: 176793-04-7
Molecular Weight: 210.98
MDL number: MFCD00236214
PubChem CID: 2736401
PubChem SID: 504761304

In stock

Item Number

B122692

Grouped product items
SKU	Size	Availability	Price
B122692-1g	1g	3	$33.90
B122692-2.5g	2.5g	3	$65.90
B122692-5g	5g	3	$100.90
B122692-10g	10g	3	$153.90
B122692-25g	25g	3	$346.90
B122692-100g	100g	1	$1,246.90

Basic Description

Synonyms	176793-04-7 \| 2-bromo-1,3,4-trifluorobenzene \| 1-Bromo-2,3,6-trifluorobenzene \| 2,3,6-Trifluorobromobenzene \| Benzene, 2-bromo-1,3,4-trifluoro- \| MFCD00236214 \| 16793-04-7 \| 2-bromo-1,3,4-trifluoro-benzene \| o-bromo-trifluorobenzene \| SCHEMBL313506 \| 2,3,6-trifluoro-bromoben
Specifications & Purity	≥97%
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	Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - 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

Pubchem Sid	504761304
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761304
IUPAC Name	2-bromo-1,3,4-trifluorobenzene
INCHI	InChI=1S/C6H2BrF3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H
InChIKey	CNAXDCSHYHIOGW-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1F)F)Br)F
Isomeric SMILES	C1=CC(=C(C(=C1F)F)Br)F
Molecular Weight	210.98
Reaxy-Rn	9901598
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9901598&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
I1501082	Certificate of Analysis	May 06, 2023	B122692
D1916176	Certificate of Analysis	Feb 07, 2023	B122692
B2208037	Certificate of Analysis	Dec 13, 2021	B122692
B2208041	Certificate of Analysis	Dec 13, 2021	B122692
B2208293	Certificate of Analysis	Dec 13, 2021	B122692
B2208292	Certificate of Analysis	Dec 13, 2021	B122692
F2427012	Certificate of Analysis	Dec 13, 2021	B122692

Chemical and Physical Properties

Refractive Index	1.4895
Flash Point(°F)	62°C(143°F)
Flash Point(°C)	62°C(143°F)
Molecular Weight	210.980 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	209.929 Da
Monoisotopic Mass	209.929 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120.000
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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