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2-Bromo-1,3-dichloro-5-(trifluoromethoxy)benzene - 97%, high purity , CAS No.118754-55-5

COA

Grade & Purity:

≥97%

Cas Number: 118754-55-5
Molecular Weight: 309.9
MDL number: MFCD03412210
PubChem CID: 18947696

In stock

Item Number

D134266

Grouped product items
SKU	Size	Availability	Price
D134266-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90
D134266-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
D134266-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$625.90

Basic Description

Synonyms	118754-55-5 \| 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene \| 2,6-DICHLORO-4-(TRIFLUOROMETHOXY)BROMOBENZENE \| 4-Bromo-3,5-dichloro-1-(trifluoromethoxy)benzene \| MFCD03412210 \| C7H2BrCl2F3O \| SCHEMBL9224313 \| DTXSID60596757 \| CAAJZKZQEJSRJO-UHFFFAOYSA-N \| CK2329 \| AKOS0159
Specifications & Purity	≥97%
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	Phenoxy compounds Phenol ethers Bromobenzenes Aryl chlorides Aryl bromides Trihalomethanes Organooxygen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Trihalomethane - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Halomethane - Hydrocarbon derivative - 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	2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene
INCHI	InChI=1S/C7H2BrCl2F3O/c8-6-4(9)1-3(2-5(6)10)14-7(11,12)13/h1-2H
InChIKey	CAAJZKZQEJSRJO-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1Cl)Br)Cl)OC(F)(F)F
Isomeric SMILES	C1=C(C=C(C(=C1Cl)Br)Cl)OC(F)(F)F
PubChem CID	18947696
Molecular Weight	309.9

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	309.890 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	307.862 Da
Monoisotopic Mass	307.862 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	190.000
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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