5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole - CAS 1210892-10-6

Catalog:	BB005033
Product Name:	5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole
CAS:	1210892-10-6
Synonyms:	3-bromo-5-(methoxymethyl)-1H-1,2,4-triazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-bromo-5-(methoxymethyl)-1H-1,2,4-triazole
Description:	5-Bromo-3-(methoxymethyl)-1H-1,2,4-triazole (CAS# 1210892-10-6) is a useful research chemical.
Molecular Weight:	192.01
Molecular Formula:	C4H6BrN3O
Canonical SMILES:	COCC1=NC(=NN1)Br
InChI:	InChI=1S/C4H6BrN3O/c1-9-2-3-6-4(5)8-7-3/h2H2,1H3,(H,6,7,8)
InChI Key:	KMKCULBLUKSXDU-UHFFFAOYSA-N
LogP:	0.71360

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Related Functional Groups

Triazole/Tetrazole

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5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[146-68-9]
Iodonitrotetrazolium chloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.96942
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.96942
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7