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2,5-Dichlorobenzoyl Chloride - ≥98.0%, high purity , CAS No.2905-61-5

COA

Grade & Purity:

≥98%

Cas Number: 2905-61-5
Molecular Weight: 209.45
MDL number: MFCD00035821
PubChem CID: 17945
PubChem SID: 488182424

In stock

Item Number

D154501

Grouped product items
SKU	Size	Availability	Price
D154501-1g	1g	5	$9.90
D154501-5g	5g	4	$21.90
D154501-25g	25g	3	$64.90
D154501-100g	100g	1	$232.90

View related series

Acyl halide (157) Carbonyl compound (2335)

Basic Description

Synonyms	2,5-dichlorobenzoyl-chloride \| SCHEMBL699001 \| 2,5-dichlorobenzoic acid chloride \| AKOS009218476 \| Q-200194 \| 2,5-dichlorobenzoic chloride \| Q27277761 \| 2,5-DICHLOROBENZOYL CHLORIDE [HSDB] \| D90136 \| 2,5-bis(chloranyl)benzoyl chloride \| HSDB 5902 \| 2,5-Di
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 3-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	3-halobenzoic acids and derivatives
Alternative Parents	2-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Acyl halide - Acyl chloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
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	488182424
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182424
IUPAC Name	2,5-dichlorobenzoyl chloride
INCHI	InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChIKey	RSINFFVFOTUDEC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)C(=O)Cl)Cl
Isomeric SMILES	C1=CC(=C(C=C1Cl)C(=O)Cl)Cl
Molecular Weight	209.45
Reaxy-Rn	639022
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639022&ln=

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

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

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
K1927146	Certificate of Analysis	Sep 11, 2023	D154501
C2330096	Certificate of Analysis	Mar 15, 2023	D154501
C2330421	Certificate of Analysis	Mar 15, 2023	D154501
C2330420	Certificate of Analysis	Mar 15, 2023	D154501
C2330024	Certificate of Analysis	Mar 15, 2023	D154501
C2330331	Certificate of Analysis	Mar 15, 2023	D154501
C2330053	Certificate of Analysis	Mar 15, 2023	D154501
C2330063	Certificate of Analysis	Mar 15, 2023	D154501
H2318406	Certificate of Analysis	Mar 15, 2023	D154501
C2330055	Certificate of Analysis	Mar 15, 2023	D154501
C2316781	Certificate of Analysis	Oct 23, 2021	D154501

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Chemical and Physical Properties

Solubility	Soluble in Toluene
Sensitivity	Moisture sensitive
Refractive Index	1.59
Boil Point(°C)	95 °C/1 mmHg
Melt Point(°C)	23 °C
Molecular Weight	209.500 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	207.925 Da
Monoisotopic Mass	207.925 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160.000
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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