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2-Bromo-1-(bromomethyl)-4-methoxybenzene - ≥98%, high purity , CAS No.54788-18-0

COA

Grade & Purity:

≥98%

Cas Number: 54788-18-0
Molecular Weight: 279.95
PubChem CID: 10588783

In stock

Item Number

B724872

Grouped product items
SKU	Size	Availability	Price
B724872-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90
B724872-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90
B724872-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$769.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzyl bromide - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Ether - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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	2-bromo-1-(bromomethyl)-4-methoxybenzene
INCHI	InChI=1S/C8H8Br2O/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
InChIKey	ATTFAYYIRHBGME-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)CBr)Br
Isomeric SMILES	COC1=CC(=C(C=C1)CBr)Br
PubChem CID	10588783
Molecular Weight	279.95

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	279.960 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	279.892 Da
Monoisotopic Mass	277.894 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119.000
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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