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2,4-Dichlorobenzyl Chloride - 98%, high purity , CAS No.94-99-5

COA

Grade & Purity:

≥98%

Cas Number: 94-99-5
Molecular Weight: 195.47
MDL number: MFCD00000895
PubChem CID: 7212
PubChem SID: 504751270

In stock

Item Number

D405586

Grouped product items
SKU	Size	Availability	Price
D405586-25g	25g	3	$9.90
D405586-100g	100g	3	$28.90
D405586-500g	500g	2	$126.90

View related series

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

Basic Description

Synonyms	AKOS000119538 \| DTXCID7025005 \| EINECS 202-381-0 \| 2,4-Dichloro-1-chloromethylbenzene \| 2,4-Dichloro-1-chloromethyl-benzene \| NSC 406892 \| F2190-0273 \| 1-CHLOROMETHYL-2,4-DICHLOROBENZENE \| FT-0610051 \| .alpha.,2,4-Trichlorotoluene \| BBL009650 \| CAS-94-99-
Specifications & Purity	≥98%
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Benzyl chlorides Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl halide - Benzyl chloride - 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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	504751270
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751270
IUPAC Name	2,4-dichloro-1-(chloromethyl)benzene
INCHI	InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey	IRSVDHPYXFLLDS-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)Cl)CCl
Isomeric SMILES	C1=CC(=C(C=C1Cl)Cl)CCl
WGK Germany	3
UN Number	3265
Packing Group	III
Molecular Weight	195.47
Reaxy-Rn	387220
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387220&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
E2430448	Certificate of Analysis	Apr 16, 2024	D405586
J2217473	Certificate of Analysis	Sep 08, 2022	D405586
D2310251	Certificate of Analysis	Sep 08, 2022	D405586
G2306182	Certificate of Analysis	Sep 08, 2022	D405586
J2217474	Certificate of Analysis	Sep 08, 2022	D405586
J2217471	Certificate of Analysis	Sep 08, 2022	D405586
J2217472	Certificate of Analysis	Sep 08, 2022	D405586

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.57
Flash Point(°F)	235.4 °F
Boil Point(°C)	248 °C
Molecular Weight	195.500 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	193.946 Da
Monoisotopic Mass	193.946 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
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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