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1-Fluoro-3-iodo-5-nitrobenzene - >98.0%(GC), high purity , CAS No.3819-88-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3819-88-3
Molecular Weight: 267
MDL number: MFCD00007219
PubChem CID: 259086
PubChem SID: 488189098

In stock

Item Number

F156776

Grouped product items
SKU	Size	Availability	Price
F156776-1g	1g	1	$85.90
F156776-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$329.90
F156776-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$593.90
F156776-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,335.90
F156776-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,806.90

View related series

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

Basic Description

Synonyms	3-Fluoro-5-iodonitrobenzene \| DTXSID40293318 \| MFCD00007219 \| STL554608 \| 5-fluoro-3-nitroiodobenzene \| NSC88609 \| NSC-88609 \| 1-Fluoro-3-iodo-5-nitrobenzene, 96% \| BBL100814 \| AM82886 \| VU0549358-1 \| AC-26092 \| AKOS000813850 \| F9995-0391 \| DS-15840 \| F08
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	1-Fluoro-3-iodo-5-nitrobenzene may be used in chemical synthesis.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organoiodide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	488189098
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189098
IUPAC Name	1-fluoro-3-iodo-5-nitrobenzene
INCHI	InChI=1S/C6H3FINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey	MXPYCSFCKXSPAB-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1F)I)[N+](=O)[O-]
Isomeric SMILES	C1=C(C=C(C=C1F)I)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	267
Reaxy-Rn	2502410
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2502410&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
J1730164	Certificate of Analysis	May 13, 2025	F156776
D2313806	Certificate of Analysis	May 04, 2023	F156776
L2201112	Certificate of Analysis	Dec 06, 2022	F156776

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	air sensitive
Melt Point(°C)	77-79°C(lit.)
Molecular Weight	267.000 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	266.919 Da
Monoisotopic Mass	266.919 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
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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