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3,4-Dichlorobenzotrichloride - 96%, high purity , CAS No.13014-24-9

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3,4-Dichlorobenzotrichloride - 96%, high purity , CAS No.13014-24-9

COA

Grade & Purity:

≥96%

Cas Number: 13014-24-9
Molecular Weight: 264.36
MDL number: MFCD00018820
PubChem CID: 25608

In stock

Item Number

D166883

Grouped product items
SKU	Size	Availability	Price
D166883-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
D166883-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
D166883-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$274.90

View related series

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

Basic Description

Synonyms	3,4-Dichloro-1-(trichloromethyl)benzene \| PENTACHLOROTOLUENE, ALPHA,ALPHA,ALPHA,3,4- \| .alpha.,.alpha.,.alpha.,3,4-Pentachlorotoluene \| 3,4-Dichlorotrichloromethylbenzene \| UNII-79ZZO7J7BA \| NCGC00091768-02 \| CAS-13014-24-9 \| CCRIS 6088 \| Toluene,.alpha.,
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

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	Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1,2-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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,2-dichloro-4-(trichloromethyl)benzene
INCHI	InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKey	ATYLRBXENHNROH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(Cl)(Cl)Cl)Cl)Cl
Isomeric SMILES	C1=CC(=C(C=C1C(Cl)(Cl)Cl)Cl)Cl
WGK Germany	3
RTECS	CZ5475000
UN Number	1759
Packing Group	I
Molecular Weight	264.36
Reaxy-Rn	2444802
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2444802&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.

3 results found

Lot Number	Certificate Type	Date	Item
K2427125	Certificate of Analysis	Apr 12, 2024	D166883
K2427126	Certificate of Analysis	Apr 12, 2024	D166883
K2427127	Certificate of Analysis	Apr 12, 2024	D166883

Chemical and Physical Properties

Sensitivity	Air Sensitive
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Melt Point(°C)	26 °C
Molecular Weight	264.400 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	263.865 Da
Monoisotopic Mass	261.868 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	152.000
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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