5-(2,4-Dichlorophenyl)-1H-tetrazole - CAS 50907-22-7

Catalog:	BB027258
Product Name:	5-(2,4-Dichlorophenyl)-1H-tetrazole
CAS:	50907-22-7
Synonyms:	5-(2,4-dichlorophenyl)-2H-tetrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(2,4-dichlorophenyl)-2H-tetrazole
Description:	5-(2,4-Dichlorophenyl)-1H-tetrazole (CAS# 50907-22-7) is a useful research chemical.
Molecular Weight:	215.04
Molecular Formula:	C7H4Cl2N4
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)C2=NNN=N2
InChI:	InChI=1S/C7H4Cl2N4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:	DPHDYJRNGBXYQG-UHFFFAOYSA-N
Boiling Point:	389.1 °C at 760 mmHg
Density:	1.574 g/cm³
Appearance:	Solid
MDL:	MFCD01075709
LogP:	2.17350

Publication Number	Title	Priority Date
US-2010256109-A1	Azetidines As EP2 Antagonists	20071115
WO-2009063365-A1	Azetidines as ep2 antagonists	20071115
AU-2004211637-A1	Macrocyclic hepatitis C serine protease inhibitors	20030207
AU-2004211637-B2	Macrocyclic hepatitis C serine protease inhibitors	20030207
AU-2004211637-C1	Macrocyclic hepatitis C serine protease inhibitors	20030207

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Related Functional Groups

Triazole/Tetrazole

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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:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.9813015
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.9813015
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4