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3-(Bromomethyl)benzoic acid - 98%, high purity , CAS No.6515-58-8

COA

Grade & Purity:

≥98%

Cas Number: 6515-58-8
Molecular Weight: 215.04
PubChem CID: 245650
PubChem SID: 504758077

In stock

Item Number

B139144

Grouped product items
SKU	Size	Availability	Price
B139144-1g	1g	3	$15.90
B139144-5g	5g	2	$36.90
B139144-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90

Basic Description

Synonyms	3-(bromomethyl)benzoic acid \| 6515-58-8 \| 3-Bromomethyl-benzoic acid \| 3-Bromomethylbenzoic acid \| MFCD00045839 \| 3-(bromomethyl)benzoicacid \| Benzoic acid, 3-(bromomethyl)- \| 3-BromomethylbenzoicAcid \| m-bromomethylbenzoic acid \| m-CARBOXYBENZYL BROMIDE \| 3-Brommethylbenzoe
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads 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 Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzyl bromides Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Benzyl bromide - Benzyl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504758077
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758077
IUPAC Name	3-(bromomethyl)benzoic acid
INCHI	InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey	FTPAHNNMUYOHOB-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(=O)O)CBr
Isomeric SMILES	C1=CC(=CC(=C1)C(=O)O)CBr
WGK Germany	3
Molecular Weight	215.04
Reaxy-Rn	637115
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637115&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
K2103318	Certificate of Analysis	Aug 04, 2023	B139144
K2103512	Certificate of Analysis	Aug 04, 2023	B139144

Chemical and Physical Properties

Molecular Weight	215.040 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.963 Da
Monoisotopic Mass	213.963 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147.000
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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