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2-Amino-5-(trifluoromethoxy)benzimidazole - ≥95%, high purity , CAS No.132877-27-1

    Grade & Purity:
  • ≥95%
In stock
Item Number
A735769
Grouped product items
SKU Size
Availability
Price Qty
A735769-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$346.90
A735769-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$693.90
A735769-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,808.90

Basic Description

Specifications & Purity ≥95%
Storage Temp Store at 2-8°C,Protected from light,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 Benzimidazoles
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Benzimidazoles
Alternative Parents Phenol ethers  Aminoimidazoles  Heteroaromatic compounds  Trihalomethanes  Azacyclic compounds  Primary amines  Organooxygen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Benzimidazole - Phenol ether - Aminoimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Trihalomethane - Azacycle - Halomethane - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available

Product Properties

ALogP 1.8

Names and Identifiers

IUPAC Name 6-(trifluoromethoxy)-1H-benzimidazol-2-amine
INCHI InChI=1S/C8H6F3N3O/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H3,12,13,14)
InChIKey PKVNYLKKHHYCHH-UHFFFAOYSA-N
Smiles C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)N
Isomeric SMILES C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)N
PubChem CID 14700613
Molecular Weight 217.15

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

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

Chemical and Physical Properties

Molecular Weight 217.150 g/mol
XLogP3 1.800
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 217.046 Da
Monoisotopic Mass 217.046 Da
Topological Polar Surface Area 63.900 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 236.000
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

Solution Calculators

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