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1-chloro-4-(difluoromethyl)-2-fluoro-benzene - 97%, high purity , CAS No.1214333-76-2

COA

Grade & Purity:

≥97%

Cas Number: 1214333-76-2
Molecular Weight: 180.55
PubChem CID: 46311683

In stock

Item Number

C627457

Grouped product items
SKU	Size	Availability	Price
C627457-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$74.90
C627457-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$243.90
C627457-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$486.90

Basic Description

Synonyms	1-CHLORO-4-(DIFLUOROMETHYL)-2-FLUOROBENZENE \| 1214333-76-2 \| 1-chloro-4-(difluoromethyl)-2-fluoro-benzene \| MFCD14698548 \| SCHEMBL4430697 \| AKOS005258253 \| SB85612 \| 4-Chloro-3-fluoro(difluoromethyl)benzene \| AS-76780 \| P20810 \| 1-Chloro-4-(difluoromethyl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Chlorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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

IUPAC Name	1-chloro-4-(difluoromethyl)-2-fluorobenzene
INCHI	InChI=1S/C7H4ClF3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H
InChIKey	SOMCNJINLBUZFH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)F)F)Cl
Isomeric SMILES	C1=CC(=C(C=C1C(F)F)F)Cl
PubChem CID	46311683
Molecular Weight	180.55

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.550 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	179.995 Da
Monoisotopic Mass	179.995 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129.000
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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