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3-Bromo-2-hydroxy-5-methylbenzaldehyde - 98%, high purity , CAS No.33172-54-2

COA

Grade & Purity:

≥98%

Cas Number: 33172-54-2
Molecular Weight: 215
PubChem CID: 2757015

In stock

Item Number

B183759

Grouped product items
SKU	Size	Availability	Price
B183759-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$82.90
B183759-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$341.90
B183759-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,538.90

Basic Description

Synonyms	3-bromo-2-hydroxy-5-methylbenzaldehyde \| 33172-54-2 \| 3-Bromo-2-hydroxy-5-methyl-benzaldehyde \| MFCD00275688 \| 2,2-hydrazodiethanol \| SCHEMBL1303936 \| 6-bromo-4-methyl-2-formylphenol \| DTXSID50373695 \| LCZDQTSSLMAXCI-UHFFFAOYSA-N \| STK028349 \| AKOS000103896 \| BS-28039 \| SY042778
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes
        Level7 Benzaldehydes
        Level8 Hydroxybenzaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Para cresols O-bromophenols Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - P-cresol - Bromobenzene - Halobenzene - Phenol - Toluene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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	3-bromo-2-hydroxy-5-methylbenzaldehyde
INCHI	InChI=1S/C8H7BrO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3
InChIKey	LCZDQTSSLMAXCI-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1)Br)O)C=O
Isomeric SMILES	CC1=CC(=C(C(=C1)Br)O)C=O
Molecular Weight	215
Reaxy-Rn	2045121
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045121&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.040 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
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	149.000
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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