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4'-Chloro-5，5-diMethyl-3，4，5，6-tetrahydro-[1，1'-biphenyl]-2-carbaldehyde - ≥99%, high purity , CAS No.1228837-05-5

COA

Grade & Purity:

≥99%

Cas Number: 1228837-05-5
Molecular Weight: 248.75
PubChem CID: 87279414

In stock

Item Number

C735115

Grouped product items
SKU	Size	Availability	Price
C735115-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90
C735115-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90
C735115-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,406.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamaldehydes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamaldehydes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamaldehydes
Alternative Parents	Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamaldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
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-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde
INCHI	InChI=1S/C15H17ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKey	OOUSVDAPSBFSBR-UHFFFAOYSA-N
Smiles	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C=O)C
Isomeric SMILES	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C=O)C
PubChem CID	87279414
Molecular Weight	248.75

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	248.750 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	248.097 Da
Monoisotopic Mass	248.097 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	322.000
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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