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3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde - 97%, high purity , CAS No.861932-08-3

COA

Grade & Purity:

≥97%

Cas Number: 861932-08-3
Molecular Weight: 251.1
PubChem CID: 53429590
PubChem SID: 504771248

In stock

Item Number

B187214

Grouped product items
SKU	Size	Availability	Price
B187214-1g	1g	3	$23.90
B187214-5g	5g	3	$81.90
B187214-25g	25g	2	$368.90

Basic Description

Synonyms	3-BROMO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE \| 861932-08-3 \| 3-Bromo-4-(1-imidazolyl)benzaldehyde \| 3-bromo-4-imidazol-1-ylbenzaldehyde \| MFCD11656797 \| SCHEMBL1610383 \| DTXSID50700189 \| MWRSHCXIXJNGGF-UHFFFAOYSA-N \| AKOS015950495 \| 3-bromo-(4-imidazol-1-yl)benzaldehyde \| DS-165
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Benzoyl derivatives Benzaldehydes Bromobenzenes N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylimidazole - Benzaldehyde - Benzoyl - Bromobenzene - Halobenzene - Aryl-aldehyde - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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	504771248
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771248
IUPAC Name	3-bromo-4-imidazol-1-ylbenzaldehyde
INCHI	InChI=1S/C10H7BrN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-7H
InChIKey	MWRSHCXIXJNGGF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C=O)Br)N2C=CN=C2
Isomeric SMILES	C1=CC(=C(C=C1C=O)Br)N2C=CN=C2
Molecular Weight	251.1
Reaxy-Rn	38295118
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38295118&ln=

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

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3 results found

Lot Number	Certificate Type	Date	Item
K2216385	Certificate of Analysis	Sep 24, 2022	B187214
K2216399	Certificate of Analysis	Sep 24, 2022	B187214
K2216390	Certificate of Analysis	Sep 24, 2022	B187214

Chemical and Physical Properties

Sensitivity	Air sensitive
Molecular Weight	251.080 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	249.974 Da
Monoisotopic Mass	249.974 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212.000
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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