5-(Chloromethyl)tetrazole - CAS 55408-11-2

Catalog:	BB029031
Product Name:	5-(Chloromethyl)tetrazole
CAS:	55408-11-2
Synonyms:	5-(chloromethyl)-2H-tetrazole; 5-(chloromethyl)-2H-tetrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(chloromethyl)-2H-tetrazole
Description:	5-(Chloromethyl)tetrazole (CAS# 55408-11-2) is a useful research chemical.
Molecular Weight:	118.53
Molecular Formula:	C2H3ClN4
Canonical SMILES:	C(C1=NNN=N1)Cl
InChI:	InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)
InChI Key:	AGWSISOYPHROLN-UHFFFAOYSA-N
Boiling Point:	293.923 °C at 760 mmHg
Density:	1.578 g/cm³
MDL:	MFCD00512845
LogP:	-0.06150

Publication Number	Title	Priority Date
US-2021107919-A1	Novel Thienopyrimidones	20191015
WO-2021074197-A1	Thienopyrimidones as trpa1 inhibitors	20191015
WO-2021030556-A1	Modulators of cystic fibrosis transmembrane conductance regulator	20190814
WO-2020260857-A1	Hydroxamate compounds as antagonists of the adenosine a2a receptor	20190613
WO-2020222011-A1	Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response	20190430

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Related Functional Groups

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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:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.0046238
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.0046238
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1