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1-(3-Bromo-4-chlorophenyl)butan-1-one - 96%, high purity , CAS No.1280786-91-5

COA

Grade & Purity:

≥96%

Cas Number: 1280786-91-5
Molecular Weight: 261.5
PubChem CID: 53217463

In stock

Item Number

B181009

Grouped product items
SKU	Size	Availability	Price	Qty
B181009-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,106.90
B181009-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,943.90

Basic Description

Synonyms	1-(3-Bromo-4-chlorophenyl)butan-1-one \| 1280786-91-5 \| 2-Bromo-1-chloro-4-(propylcarbonyl)benzene \| SCHEMBL17094704 \| DTXSID00682502 \| MFCD18783205 \| AKOS015908246 \| BS-20609 \| 1-Butanone, 1-(3-bromo-4-chlorophenyl)- \| CS-0211336
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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-(3-bromo-4-chlorophenyl)butan-1-one
INCHI	InChI=1S/C10H10BrClO/c1-2-3-10(13)7-4-5-9(12)8(11)6-7/h4-6H,2-3H2,1H3
InChIKey	BLFYNZPJCYTXPV-UHFFFAOYSA-N
Smiles	CCCC(=O)C1=CC(=C(C=C1)Cl)Br
Isomeric SMILES	CCCC(=O)C1=CC(=C(C=C1)Cl)Br
PubChem CID	53217463
Molecular Weight	261.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.540 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	259.96 Da
Monoisotopic Mass	259.96 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184.000
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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