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3-Iodotoluene - 99%, high purity , CAS No.625-95-6

COA

Grade & Purity:

≥99%

Cas Number: 625-95-6
Molecular Weight: 218.03
Beilstein Registry Number: 1903634
EC Number: 210-918-5
MDL number: MFCD00001050
PubChem CID: 12268
PubChem SID: 488181598

In stock

Item Number

I102000

Grouped product items
SKU	Size	Availability	Price
I102000-5g	5g	3	$9.90
I102000-25g	25g	3	$23.90
I102000-50g	50g	3	$42.90
I102000-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$76.90
I102000-250g	250g	4	$173.90
I102000-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$318.90

View related series

Aryl halides (excluding fluorides) (243) Non heterocyclic block (8163)

Basic Description

Synonyms	4-05-00-00839 (Beilstein Handbook Reference) \| Q27254738 \| BRN 1903634 \| DTXSID5060809 \| InChI=1/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H \| I0216 \| MFCD00001050 \| 3-methyliodobenzene \| M-IODOTOLUENE \| Benzene, 1-iodo-3-methyl- \| J-512710 \| EINECS 210-918-5 \| SCH
Specifications & Purity	≥99%
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 Aryl iodides Organoiodides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Iodobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - 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	488181598
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181598
IUPAC Name	1-iodo-3-methylbenzene
INCHI	InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey	VLCPISYURGTGLP-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)I
Isomeric SMILES	CC1=CC(=CC=C1)I
WGK Germany	2
RTECS	DA3440000
Molecular Weight	218.03
Beilstein	1903634
Reaxy-Rn	1903634
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903634&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
D2407349	Certificate of Analysis	Mar 21, 2024	I102000
B2219438	Certificate of Analysis	Nov 16, 2023	I102000
B2219427	Certificate of Analysis	Nov 16, 2023	I102000
B2219448	Certificate of Analysis	Nov 16, 2023	I102000
B2219449	Certificate of Analysis	Nov 16, 2023	I102000
B2219443	Certificate of Analysis	Nov 16, 2023	I102000
B2219442	Certificate of Analysis	Nov 16, 2023	I102000
A2014036	Certificate of Analysis	Sep 06, 2023	I102000
I2128062	Certificate of Analysis	Jul 18, 2023	I102000
F2130192	Certificate of Analysis	Apr 12, 2023	I102000
D1901084	Certificate of Analysis	Nov 14, 2022	I102000
A1709066	Certificate of Analysis	Jun 22, 2022	I102000

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Chemical and Physical Properties

Sensitivity	Light sensitive.
Refractive Index	1.604
Flash Point(°F)	181.4 °F
Flash Point(°C)	82°C
Boil Point(°C)	213°C
Melt Point(°C)	-27°C
Molecular Weight	218.030 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	217.959 Da
Monoisotopic Mass	217.959 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.800
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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