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2-chloro-1-(chloromethyl)-3，4-dimethoxybenzene - ≥95%, high purity , CAS No.93983-14-3

COA

Grade & Purity:

≥95%

Cas Number: 93983-14-3
Molecular Weight: 221.08
PubChem CID: 3023229

In stock

Item Number

C708427

Grouped product items
SKU	Size	Availability	Price	Qty
C708427-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,419.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenoxy compounds Benzyl chlorides Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzyl halide - Benzyl chloride - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organooxygen compound - Alkyl chloride - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	2-chloro-1-(chloromethyl)-3,4-dimethoxybenzene
INCHI	InChI=1S/C9H10Cl2O2/c1-12-7-4-3-6(5-10)8(11)9(7)13-2/h3-4H,5H2,1-2H3
InChIKey	ZRCXRIHUKHLNFX-UHFFFAOYSA-N
Smiles	COC1=C(C(=C(C=C1)CCl)Cl)OC
Isomeric SMILES	COC1=C(C(=C(C=C1)CCl)Cl)OC
PubChem CID	3023229
Molecular Weight	221.08

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.080 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	220.006 Da
Monoisotopic Mass	220.006 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155.000
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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