3-Iodopyrazole - CAS 4522-35-4

Catalog:	BB025795
Product Name:	3-Iodopyrazole
CAS:	4522-35-4
Synonyms:	5-iodo-1H-pyrazole; 5-iodo-1H-pyrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-iodo-1H-pyrazole
Description:	3-Iodopyrazole (CAS# 4522-35-4) is a useful research chemical.
Molecular Weight:	193.97
Molecular Formula:	C3H3IN2
Canonical SMILES:	C1=C(NN=C1)I
InChI:	InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChI Key:	RUKDVLFJSMVBLV-UHFFFAOYSA-N
Boiling Point:	291.9 °C at 760 mmHg
Density:	2.335 g/cm³
MDL:	MFCD12022324
LogP:	1.01430

Publication Number	Title	Priority Date
CN-112939867-A	Preparation method of 4-nitropyrazole	20210407
US-2021161927-A1	Isomorphs of remdesivir and methods for synthesis of same	20210108
US-2021228605-A1	Isomorphs of remdesivir and methods for synthesis of same	20210108
CN-112939977-A	Halogenated nitrogen heterocyclic matrine derivative and preparation method and application thereof	20201127
WO-2021165245-A1	Compounds	20200218

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GHS Hazard Statement:	H302 (33.33%): 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:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.93410
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.93410
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9