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3,5-Dichloro-4-fluorobenzaldehyde - 98%, high purity , CAS No.117820-80-1

COA

Grade & Purity:

≥98%

Cas Number: 117820-80-1
Molecular Weight: 193
PubChem CID: 14118322

In stock

Item Number

D179846

Grouped product items
SKU	Size	Availability	Price	Qty
D179846-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$226.90

Basic Description

Synonyms	3,5-Dichloro-4-fluorobenzaldehyde \| 117820-80-1 \| MFCD11845864 \| Benzaldehyde, 3,5-dichloro-4-fluoro- \| SCHEMBL6904240 \| DTXSID70556160 \| 3,5-Dichloro-4-fluoro-benzaldehyde \| AKOS006345553 \| AS-33052 \| SY065793 \| EN300-185367 \| A856908 \| Z1201625876
Specifications & Purity	≥98%
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	Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzaldehyde - Benzoyl - 1,3-dichlorobenzene - Aryl-aldehyde - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organochloride - Organofluoride - 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

IUPAC Name	3,5-dichloro-4-fluorobenzaldehyde
INCHI	InChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKey	HQMAHFRNJCBIGV-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1Cl)F)Cl)C=O
Isomeric SMILES	C1=C(C=C(C(=C1Cl)F)Cl)C=O
Molecular Weight	193
Reaxy-Rn	5508409
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5508409&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	193.000 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	191.954 Da
Monoisotopic Mass	191.954 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141.000
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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