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4'-Chloro-2'-methoxy-[1,1'-biphenyl]-4-amine - ≥98%, high purity , CAS No.1334499-96-5

COA

Grade & Purity:

≥98%

Cas Number: 1334499-96-5
Molecular Weight: 233.69
PubChem CID: 54759086

In stock

Item Number

C736299

Grouped product items
SKU	Size	Availability	Price	Qty
C736299-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
C736299-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Chlorinated biphenyls
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Aniline and substituted anilines Chlorobenzenes Alkyl aryl ethers Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorinated biphenyl - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organochloride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
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	4-(4-chloro-2-methoxyphenyl)aniline
INCHI	InChI=1S/C13H12ClNO/c1-16-13-8-10(14)4-7-12(13)9-2-5-11(15)6-3-9/h2-8H,15H2,1H3
InChIKey	LXVLGXFUOKOIHA-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)Cl)C2=CC=C(C=C2)N
Isomeric SMILES	COC1=C(C=CC(=C1)Cl)C2=CC=C(C=C2)N
PubChem CID	54759086
Molecular Weight	233.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	233.690 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	233.061 Da
Monoisotopic Mass	233.061 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216.000
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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