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2-Fluoro-5-iodotoluene - 98%, high purity , CAS No.452-68-6

COA

Grade & Purity:

≥98%

Cas Number: 452-68-6
Molecular Weight: 236.03
Beilstein Registry Number: 2433078
EC Number: 207-206-1
MDL number: MFCD00013710
PubChem CID: 521178
PubChem SID: 488190094

In stock

Item Number

F122779

Grouped product items
SKU	Size	Availability	Price
F122779-1g	1g	3	$9.90
F122779-5g	5g	3	$21.90
F122779-10g	10g	3	$39.90
F122779-25g	25g	3	$69.90
F122779-100g	100g	3	$249.90
F122779-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,123.90

View related series

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

Basic Description

Synonyms	EINECS 207-206-1 \| DTXSID70196424 \| AM20050267 \| O10783 \| 2-fluoro-5-iodotoluene, AldrichCPR \| F1004 \| SY016081 \| 5-iodo-2-fluorotoluene \| EN300-646039 \| AC-9826 \| SCHEMBL1049725 \| Benzene, 1-fluoro-4-iodo-2-methyl- \| AKOS009159271 \| 2-Fluoro-5-iodotoluen
Specifications & Purity	≥98%
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	Iodobenzenes
Alternative Parents	Toluenes Fluorobenzenes Aryl iodides Aryl fluorides Organoiodides Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Iodobenzene - Fluorobenzene - Aryl iodide - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organoiodide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
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	488190094
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190094
IUPAC Name	1-fluoro-4-iodo-2-methylbenzene
INCHI	InChI=1S/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey	DYQIYXDSKUUZRI-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)I)F
Isomeric SMILES	CC1=C(C=CC(=C1)I)F
Molecular Weight	236.03
Beilstein	2433078
Reaxy-Rn	2433078
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2433078&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
H2314197	Certificate of Analysis	May 12, 2025	F122779
H2314192	Certificate of Analysis	May 12, 2025	F122779
H2314188	Certificate of Analysis	May 12, 2025	F122779
H2314191	Certificate of Analysis	May 12, 2025	F122779
H2314200	Certificate of Analysis	May 12, 2025	F122779
H2314198	Certificate of Analysis	May 12, 2025	F122779
H2314194	Certificate of Analysis	May 12, 2025	F122779
H2314190	Certificate of Analysis	May 12, 2025	F122779
H2314196	Certificate of Analysis	May 12, 2025	F122779
H2314189	Certificate of Analysis	May 12, 2025	F122779
H2314203	Certificate of Analysis	May 12, 2025	F122779
J1514081	Certificate of Analysis	Apr 11, 2023	F122779

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Chemical and Physical Properties

Sensitivity	Light Sensitive
Refractive Index	1.578
Flash Point(°C)	82 °C
Boil Point(°C)	86-87°C/9mmHg
Molecular Weight	236.020 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	235.95 Da
Monoisotopic Mass	235.95 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.900
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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