4-Bromo-1-(2-hydroxyethyl)pyrazole - CAS 214614-81-0

Catalog:	BB016881
Product Name:	4-Bromo-1-(2-hydroxyethyl)pyrazole
CAS:	214614-81-0
Synonyms:	2-(4-bromo-1-pyrazolyl)ethanol; 2-(4-bromopyrazol-1-yl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromopyrazol-1-yl)ethanol
Description:	2-(4-Bromo-1H-pyrazol-1-yl)ethanol, can be used in the synthesis of more complex pharmaceutical compounds, such as 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol (T302675).
Molecular Weight:	191.03
Molecular Formula:	C5H7BrN2O
Canonical SMILES:	C1=C(C=NN1CCO)Br
InChI:	InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChI Key:	REUWXYIZJBMWPB-UHFFFAOYSA-N
Boiling Point:	299.235 °C at 760 mmHg
Density:	1.743 g/cm³
MDL:	MFCD06804929
LogP:	0.63790

Publication Number	Title	Priority Date
CN-112694474-A	Indazole derivative and preparation method and application thereof	20191023
AU-2018317859-A1	6-amino-7,9-dihydro-8h-purin-8-one derivatives as immunostimulant Toll-like receptor 7 (TLR7) agonists	20170816
CN-111295385-A	6-amino-7, 9-dihydro-8H-purin-8-one derivatives as immunostimulant Toll-like receptor 7(TLR7) agonists	20170816
EP-3668870-A1	6-amino-7,9-dihydro-8h-purin-8-one derivatives as immunostimulant toll-like receptor 7 (tlr7) agonists	20170816
US-10487084-B2	Toll-like receptor 7 (TLR7) agonists having a heterobiaryl moiety, conjugates thereof, and methods and uses therefor	20170816

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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
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.97418
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.97418
Rotatable Bond Count:	2
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2