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2-(1-Chloroethyl)-1-(difluoromethyl)benzimidazole HCl - 98%, high purity , CAS No.878217-77-7

COA

Grade & Purity:

≥98%

Cas Number: 878217-77-7
Molecular Weight: 267.1
PubChem CID: 70700294

In stock

Item Number

C187563

Grouped product items
SKU	Size	Availability	Price	Qty
C187563-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,299.90
C187563-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,772.90

Basic Description

Synonyms	878217-77-7 \| 2-(1-Chloroethyl)-1-(difluoromethyl)-1H-benzo[d]imidazole hydrochloride \| 2-(1-Chloroethyl)-1-(difluoromethyl)benzimidazole HCl \| 2-(1-chloroethyl)-1-(difluoromethyl)benzimidazole;hydrochloride \| 1556225-24-1 \| DTXSID30743155 \| 2-(1-Chloroethyl)-1-(difl
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	N-substituted imidazoles Benzenoids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Alkyl chloride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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
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	2-(1-chloroethyl)-1-(difluoromethyl)benzimidazole;hydrochloride
INCHI	InChI=1S/C10H9ClF2N2.ClH/c1-6(11)9-14-7-4-2-3-5-8(7)15(9)10(12)13;/h2-6,10H,1H3;1H
InChIKey	FJEZQSBLGHOLES-UHFFFAOYSA-N
Smiles	CC(C1=NC2=CC=CC=C2N1C(F)F)Cl.Cl
Isomeric SMILES	CC(C1=NC2=CC=CC=C2N1C(F)F)Cl.Cl
PubChem CID	70700294
Molecular Weight	267.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	267.100 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	266.019 Da
Monoisotopic Mass	266.019 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	227.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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