2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethanol - CAS 1630763-72-2

Catalog:	BB051440
Product Name:	2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethanol
CAS:	1630763-72-2
Synonyms:	2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol; 1H-1,2,4-Triazole-1-ethanol, 3-bromo-

Technical Data

Computed Properties

IUPAC Name:	2-(3-bromo-1,2,4-triazol-1-yl)ethanol
Molecular Weight:	192.01
Molecular Formula:	C4H6BrN3O
Canonical SMILES:	C1=NC(=NN1CCO)Br
InChI:	InChI=1S/C4H6BrN3O/c5-4-6-3-8(7-4)1-2-9/h3,9H,1-2H2
InChI Key:	ZEPXNJVUSUIGPD-UHFFFAOYSA-N
Boiling Point:	359.5±44.0°C at 760 mmHg
Purity:	≥95%
Density:	2.0±0.1 g/cm3

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Related Functional Groups

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Halides

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1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
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1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[452-76-6]
2,4-Difluorotoluene

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate

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:	50.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3