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1-Benzyl-2,4,5-tribromo-1H-imidazole - 98%, high purity , CAS No.31250-80-3

COA

Grade & Purity:

≥98%

Cas Number: 31250-80-3
Molecular Weight: 394.9
PubChem CID: 2773241

In stock

Item Number

B183599

Grouped product items
SKU	Size	Availability	Price
B183599-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$523.90
B183599-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,271.90
B183599-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,219.90

Basic Description

Synonyms	1-Benzyl-2,4,5-tribromo-1H-imidazole \| 31250-80-3 \| 1-benzyl-2,4,5-tribromoimidazole \| MFCD03411958 \| 1-Benzyl-2,4,5-tribromo-imidazole \| C10H7Br3N2 \| SCHEMBL4838632 \| DTXSID30378300 \| DPVXZXBHQWNJDP-UHFFFAOYSA-N \| AKOS015839195 \| AB14335 \| AM86852 \| AS-62770 \| SY316610 \| CS-0046830
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Tetrasubstituted imidazoles
        Level7 1,2,4,5-tetrasubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Tetrasubstituted imidazoles
Direct Parent	1,2,4,5-tetrasubstituted imidazoles
Alternative Parents	N-substituted imidazoles Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4,5-tetrasubstituted imidazole - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, 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	1-benzyl-2,4,5-tribromoimidazole
INCHI	InChI=1S/C10H7Br3N2/c11-8-9(12)15(10(13)14-8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey	DPVXZXBHQWNJDP-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CN2C(=C(N=C2Br)Br)Br
Isomeric SMILES	C1=CC=C(C=C1)CN2C(=C(N=C2Br)Br)Br
Molecular Weight	394.9
Reaxy-Rn	529346
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=529346&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	394.890 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	393.814 Da
Monoisotopic Mass	391.816 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	209.000
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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