2-Iodo-1-methyl-1H-imidazole - CAS 37067-95-1

Catalog:	BB023181
Product Name:	2-Iodo-1-methyl-1H-imidazole
CAS:	37067-95-1
Synonyms:	2-iodo-1-methylimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-1-methylimidazole
Description:	2-Iodo-1-methyl-1H-imidazole (CAS# 37067-95-1) is a useful research chemical compound.
Molecular Weight:	208.00
Molecular Formula:	C4H5IN2
Canonical SMILES:	CN1C=CN=C1I
InChI:	InChI=1S/C4H5IN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChI Key:	BKRACZNEJSCZML-UHFFFAOYSA-N
Boiling Point:	120-122 °C / 45 mmHg
Purity:	98 %
Density:	2.07 g/cm³
MDL:	MFCD00661606
LogP:	1.02470

Publication Number	Title	Priority Date
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
WO-2020086857-A1	Wdr5 inhibitors and modulators	20181024
EP-3870173-A1	Wdr5 inhibitors and modulators	20181024
CN-107501023-A	The method that one kind prepares halo (miscellaneous) aromatic hydrocarbons	20170821

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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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.94975
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.94975
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7