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2-Iodo-4-nitrotoluene - ≥97.0%, high purity , CAS No.7745-92-8

COA

Grade & Purity:

≥97%

Cas Number: 7745-92-8
Molecular Weight: 263.036
Beilstein Registry Number: 1941233
EC Number: 231-808-3
MDL number: MFCD00024329
PubChem CID: 82188
PubChem SID: 488186064

In stock

Item Number

I123602

Grouped product items
SKU	Size	Availability	Price
I123602-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I123602-5g	5g	5	$34.90
I123602-10g	10g	4	$61.90
I123602-25g	25g	3	$114.90
I123602-100g	100g	3	$410.90
I123602-500g	500g	1	$1,846.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 231-808-3 \| 2-Iodo-4-nitrotoluene \| AKOS000271615 \| SCHEMBL2314016 \| FT-0636586 \| I0706 \| NSC 310164 \| CL8821 \| DS-12915 \| T99FZN9F22 \| SY029960 \| DTXSID60228162 \| EN300-365328 \| Benzene, 2-iodo-1-methyl-4-nitro- \| NSC310164 \| NSC-310164 \| AC-22947
Specifications & Purity	≥97%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal

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	Nitrotoluenes Nitroaromatic compounds Iodobenzenes Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Halobenzene - Iodobenzene - Toluene - Aryl halide - Aryl iodide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen 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	488186064
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186064
IUPAC Name	2-iodo-1-methyl-4-nitrobenzene
INCHI	InChI=1S/C7H6INO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey	BUQSRXQJUZTIEW-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)[N+](=O)[O-])I
Isomeric SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])I
Molecular Weight	263.036
Beilstein	1941233
Reaxy-Rn	1941233
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941233&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.

7 results found

Lot Number	Certificate Type	Date	Item
J2222371	Certificate of Analysis	Aug 19, 2022	I123602
J2222384	Certificate of Analysis	Aug 19, 2022	I123602
J2222099	Certificate of Analysis	Aug 19, 2022	I123602
J2222372	Certificate of Analysis	Aug 19, 2022	I123602
J2222374	Certificate of Analysis	Aug 19, 2022	I123602
H1425021	Certificate of Analysis	Jun 17, 2022	I123602
D1428051	Certificate of Analysis	Feb 23, 2022	I123602

Chemical and Physical Properties

Solubility	Soluble in Toluene
Sensitivity	Light Sensitive;Air sensitive
Boil Point(°C)	165 °C/15 mmHg
Melt Point(°C)	50.0-54.0°C
Molecular Weight	263.030 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	262.944 Da
Monoisotopic Mass	262.944 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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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