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1-Bromo-2,4,6-trimethoxybenzene - 98%, high purity , CAS No.1131-40-4

COA

Grade & Purity:

≥98%

Cas Number: 1131-40-4
Molecular Weight: 247.09
PubChem CID: 70802
PubChem SID: 504754575

In stock

Item Number

B586417

Grouped product items
SKU	Size	Availability	Price
B586417-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
B586417-250mg	250mg	3	$10.90
B586417-1g	1g	3	$22.90
B586417-5g	5g	2	$68.90
B586417-25g	25g	2	$257.90

Basic Description

Synonyms	FS-1193 \| AKOS000194061 \| 2-Bromo-1,5-trimethoxybenzene \| Benzene,2-bromo-1,3,5-trimethoxy- \| FT-0633385 \| 1-Bromo-2,4,6-trimethoxy-benzene \| Benzene, 2-bromo-1,3,5-trimethoxy- \| MFCD00040757 \| A802733 \| 2-bromo-1,3,5-trimethoxy benzene \| 2-Bromo-1,3,5-tr
Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	504754575
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754575
IUPAC Name	2-bromo-1,3,5-trimethoxybenzene
INCHI	InChI=1S/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3
InChIKey	BPWYNWSOQOXOPI-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C(=C1)OC)Br)OC
Isomeric SMILES	COC1=CC(=C(C(=C1)OC)Br)OC
Molecular Weight	247.09
Reaxy-Rn	1958171
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958171&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
L2313280	Certificate of Analysis	Nov 25, 2023	B586417
L2313276	Certificate of Analysis	Nov 25, 2023	B586417
L2313277	Certificate of Analysis	Nov 25, 2023	B586417
L2313278	Certificate of Analysis	Nov 25, 2023	B586417
L2313279	Certificate of Analysis	Nov 25, 2023	B586417
L2313281	Certificate of Analysis	Nov 25, 2023	B586417
L2313282	Certificate of Analysis	Nov 25, 2023	B586417
L2313283	Certificate of Analysis	Nov 25, 2023	B586417

Chemical and Physical Properties

Molecular Weight	247.090 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	245.989 Da
Monoisotopic Mass	245.989 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	140.000
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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