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(1-Methyl-1H-1,2,4-triazol-5-yl)methanol - 98%, high purity , CAS No.91616-36-3

COA

Grade & Purity:

≥98%

Cas Number: 91616-36-3
Molecular Weight: 113.12
PubChem CID: 11073377

In stock

Item Number

M579438

Grouped product items
SKU	Size	Availability	Price
M579438-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$334.90
M579438-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$634.90
M579438-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,841.90

Basic Description

Synonyms	91616-36-3 \| (1-methyl-1H-1,2,4-triazol-5-yl)methanol \| (2-methyl-1,2,4-triazol-3-yl)methanol \| (2-methyl-2h-[1,2,4]triazol-3-yl)-methanol \| 3-HYDROXYMETHYL-2-METHYL-1,2,4-TRIAZOLE \| 1H-1,2,4-Triazole-5-methanol, 1-methyl- \| MFCD06738804 \| (2-Methyl-2H-[1,2,4]triazol-3
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Description of products Applications：3-Hydroxymethyl-2-methyl-1,2,4-triazole (cas# 91616-36-3) is a compound useful in organic synthesis.

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 Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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	(2-methyl-1,2,4-triazol-3-yl)methanol
INCHI	InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3
InChIKey	QUAQZVSGXQVIEP-UHFFFAOYSA-N
Smiles	CN1C(=NC=N1)CO
Isomeric SMILES	CN1C(=NC=N1)CO
Molecular Weight	113.12
Reaxy-Rn	6798946
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6798946&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	113.120 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	113.059 Da
Monoisotopic Mass	113.059 Da
Topological Polar Surface Area	50.900 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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