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5-CHLOROMETHYL-1-METHYL-1H-[1，2，4]TRIAZOLE - ≥95%, high purity , CAS No.153851-72-0

COA

Grade & Purity:

≥95%

Cas Number: 153851-72-0
Molecular Weight: 131.56
PubChem CID: 10419219

In stock

Item Number

C710723

Grouped product items
SKU	Size	Availability	Price	Qty
C710723-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$433.90
C710723-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,291.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Not available
Direct Parent	Triazoles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
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-(chloromethyl)-1-methyl-1,2,4-triazole
INCHI	InChI=1S/C4H6ClN3/c1-8-4(2-5)6-3-7-8/h3H,2H2,1H3
InChIKey	FRSUDGCEBGTNAB-UHFFFAOYSA-N
Smiles	CN1C(=NC=N1)CCl
Isomeric SMILES	CN1C(=NC=N1)CCl
PubChem CID	10419219
Molecular Weight	131.56

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	131.560 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	131.025 Da
Monoisotopic Mass	131.025 Da
Topological Polar Surface Area	30.700 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	77.700
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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5-CHLOROMETHYL-1-METHYL-1H-[1，2，4]TRIAZOLE - ≥95%, high purity , CAS No.153851-72-0

Basic Description