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3-Bromo-4-chloro-6-methoxyquinoline - 97%, high purity , CAS No.1203579-29-6

COA

Grade & Purity:

≥97%

Cas Number: 1203579-29-6
Molecular Weight: 272.53
MDL number: MFCD13192951
PubChem CID: 45599620
PubChem SID: 504770614

In stock

Item Number

B166471

Grouped product items
SKU	Size	Availability	Price
B166471-250mg	250mg	2	$79.90
B166471-1g	1g	3	$245.90
B166471-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,102.90

Basic Description

Synonyms	3-Bromo-4-chloro-6-methoxyquinoline, AldrichCPR \| DTXSID90671162 \| 3-Bromo-4-chloro-6-methoxyquinoline \| D95586 \| FT-0708431 \| SB68658 \| 1203579-29-6 \| AML0037 \| MFCD13192951
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Haloquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Haloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Chloroquinolines
Alternative Parents	Polyhalopyridines Anisoles Alkyl aryl ethers Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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

Pubchem Sid	504770614
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770614
IUPAC Name	3-bromo-4-chloro-6-methoxyquinoline
INCHI	InChI=1S/C10H7BrClNO/c1-14-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3
InChIKey	JPJOZOXSMAFCSD-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C(=CN=C2C=C1)Br)Cl
Isomeric SMILES	COC1=CC2=C(C(=CN=C2C=C1)Br)Cl
WGK Germany	3
UN Number	2923
Packing Group	III
Molecular Weight	272.53
Reaxy-Rn	30994719
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30994719&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E2006151	Certificate of Analysis	Dec 13, 2023	B166471
L2220250	Certificate of Analysis	Jan 06, 2023	B166471
L2220118	Certificate of Analysis	Jan 06, 2023	B166471

Chemical and Physical Properties

Molecular Weight	272.520 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	270.94 Da
Monoisotopic Mass	270.94 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205.000
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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