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4-Bromo-2,7,8-trimethylquinoline - Reagent Grade, high purity , CAS No.1070879-61-6

COA

Grade & Purity:

Reagent Grade

Cas Number: 1070879-61-6
Molecular Weight: 250.13
MDL number: MFCD11505146
PubChem CID: 39346154

In stock

Item Number

B478582

Grouped product items
SKU	Size	Availability	Price	Qty
B478582-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,208.90

Basic Description

Synonyms	MFCD11505146 \| AKOS022889575 \| SB69054 \| 4-Bromo-2,7,8-trimethylquinoline, AldrichCPR \| VSB87961 \| 1070879-61-6 \| DTXSID80653710 \| 4-Bromo-2,7,8-trimethylquinoline
Specifications & Purity	Reagent grade
Legal Information	Product of BioBlocks
Grade	Reagent Grade

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	Haloquinolines
Alternative Parents	Methylpyridines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Haloquinoline - Methylpyridine - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
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-bromo-2,7,8-trimethylquinoline
INCHI	InChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKey	FDEFLDIBSLKLEN-UHFFFAOYSA-N
Smiles	CC1=C(C2=NC(=CC(=C2C=C1)Br)C)C
Isomeric SMILES	CC1=C(C2=NC(=CC(=C2C=C1)Br)C)C
WGK Germany	3
PubChem CID	39346154
Molecular Weight	250.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	250.130 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	249.015 Da
Monoisotopic Mass	249.015 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	206.000
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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