3,5-Dibromo-1-methyl-1,2,4-triazole - CAS 23579-79-5

Catalog:	BB018097
Product Name:	3,5-Dibromo-1-methyl-1,2,4-triazole
CAS:	23579-79-5
Synonyms:	3,5-dibromo-1-methyl-1,2,4-triazole; 3,5-dibromo-1-methyl-1,2,4-triazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,5-dibromo-1-methyl-1,2,4-triazole
Description:	3,5-Dibromo-1-methyl-1,2,4-triazole (CAS# 23579-79-5) is an intermediate in the preparation of modulators of Rho-associated protein kinase.
Molecular Weight:	240.88
Molecular Formula:	C3H3Br2N3
Canonical SMILES:	CN1C(=NC(=N1)Br)Br
InChI:	InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3
InChI Key:	OAPQSGTTZLYWJB-UHFFFAOYSA-N
MDL:	MFCD09426402
LogP:	1.34010

Publication Number	Title	Priority Date
CN-113066992-A	Alkaline aqueous single flow battery based on double-metal MOF positive electrode and organic matter negative electrode	20210308
WO-2021127337-A1	Trpml modulators	20191219
US-2021061802-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
WO-2021041588-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
WO-2019145729-A1	Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase	20180125

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.86732
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.86937
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1