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(5-bromo-1-methyl-1H-imidazol-2-yl)methanol - ≥97%, high purity , CAS No.861362-06-3

COA

Grade & Purity:

≥97%

Cas Number: 861362-06-3
Molecular Weight: 191.03
PubChem CID: 23445171

In stock

Item Number

M731135

Grouped product items
SKU	Size	Availability	Price	Qty
M731135-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,027.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Trisubstituted imidazoles
        Level7 1,2,5-trisubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Trisubstituted imidazoles
Direct Parent	1,2,5-trisubstituted imidazoles
Alternative Parents	N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,5-trisubstituted-imidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5.
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	(5-bromo-1-methylimidazol-2-yl)methanol
INCHI	InChI=1S/C5H7BrN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3
InChIKey	KXNDYMLJDLCBMV-UHFFFAOYSA-N
Smiles	CN1C(=CN=C1CO)Br
Isomeric SMILES	CN1C(=CN=C1CO)Br
PubChem CID	23445171
Molecular Weight	191.03

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	143-145°
Molecular Weight	191.030 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.974 Da
Monoisotopic Mass	189.974 Da
Topological Polar Surface Area	38.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101.000
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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