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1-Bromo-2-chloro-4-iodo-3-methylbenzene - 97%, high purity , CAS No.1000573-57-8

COA

Grade & Purity:

≥97%

Cas Number: 1000573-57-8
Molecular Weight: 331.4
PubChem CID: 44891207

In stock

Item Number

B178661

Grouped product items
SKU	Size	Availability	Price
B178661-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
B178661-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
B178661-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$526.90

Basic Description

Synonyms	1-Bromo-2-chloro-4-iodo-3-methylbenzene \| 1000573-57-8 \| 3-Bromo-2-chloro-6-iodotoluene \| Benzene, 1-bromo-2-chloro-4-iodo-3-methyl- \| SCHEMBL16815713 \| DTXSID30661542 \| LTTIZTDAVFVXLF-UHFFFAOYSA-N \| MFCD09878177 \| AKOS015834828 \| FS-4733 \| 1-bromo-2-chloro-4-iodo-3-methyl-b
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	Iodobenzenes
Alternative Parents	Toluenes Chlorobenzenes Bromobenzenes Aryl iodides Aryl chlorides Aryl bromides Organoiodides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Iodobenzene - Chlorobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organochloride - Organobromide - 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

IUPAC Name	1-bromo-2-chloro-4-iodo-3-methylbenzene
INCHI	InChI=1S/C7H5BrClI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3
InChIKey	LTTIZTDAVFVXLF-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1Cl)Br)I
Isomeric SMILES	CC1=C(C=CC(=C1Cl)Br)I
Molecular Weight	331.4
Reaxy-Rn	28591224
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28591224&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	331.370 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	329.831 Da
Monoisotopic Mass	329.831 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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