2-(3-Chloro-1H-1,2,4-triazol-1-yl)propan-1-ol - CAS 2226034-14-4

Catalog:	BB051439
Product Name:	2-(3-Chloro-1H-1,2,4-triazol-1-yl)propan-1-ol
CAS:	2226034-14-4
Synonyms:	1H-1,2,4-Triazole-1-ethanol, 3-chloro-β-methyl-; 2-(3-Chloro-1H-1,2,4-triazol-1-yl)-1-propanol

Technical Data

Computed Properties

IUPAC Name:	2-(3-chloro-1,2,4-triazol-1-yl)propan-1-ol
Molecular Weight:	161.59
Molecular Formula:	C5H8ClN3O
Canonical SMILES:	CC(CO)N1C=NC(Cl)=N1
InChI:	InChI=1S/C5H8ClN3O/c1-4(2-10)9-3-7-5(6)8-9/h3-4,10H,2H2,1H3
InChI Key:	GLZVFQBZQQGKTP-UHFFFAOYSA-N
Boiling Point:	332.1±44.0°C (Predicted)
Purity:	≥95%
Density:	1.46±0.1 g/cm3 (Predicted)

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Related Functional Groups

Alcohols and Derivatives

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol
[155310-11-5]
3-Amino-2,2-difluoro-1-propanol
[3736-77-4]
2,2'-Anhydrouridine
[2799-21-5]
(R)-3-Pyrrolidinol

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1570493-58-1]
5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
[138169-43-4]
MTS Reagent
[1798723-20-2]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid
[1798731-93-7]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)propanoic acid

Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.0355896
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.0355896
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.9
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6