5-Chloro-1H-imidazole - CAS 15965-31-8

Catalog:	BB011559
Product Name:	5-Chloro-1H-imidazole
CAS:	15965-31-8
Synonyms:	5-chloro-1H-imidazole; 5-chloro-1H-imidazole

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Computed Properties

IUPAC Name:	5-chloro-1H-imidazole
Description:	5-Chloro-1H-imidazole (CAS# 15965-31-8) is a compound useful in organic synthesis.
Molecular Weight:	102.52
Molecular Formula:	C3H3ClN2
Canonical SMILES:	C1=C(NC=N1)Cl
InChI:	InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:	BQRBAXFOPZRMCU-UHFFFAOYSA-N
Boiling Point:	295.9 °C at 760 mmHg
Density:	1.405 g/cm³
Appearance:	Solid
MDL:	MFCD09033087
LogP:	1.06310

Publication Number	Title	Priority Date
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
CN-113368253-A	Drug carrier based on zeolite imidazole framework structure and preparation method and application thereof	20200310
US-2021284805-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
WO-2021178573-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917

PMID	Publication Date	Title	Journal
19921793	20091218	Carbene reactivity of 4-diazo-4H-imidazoles toward nucleophiles and aromatic compounds	The Journal of organic chemistry
18976926	20081215	Synthesis and biological activities of novel nonpeptide angiotensin II receptor antagonists based on benzimidazole derivatives bearing a heterocyclic ring	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, 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:	101.9984758
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.9984758
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1