5-(2,6-Dichlorophenyl)-1H-tetrazole - CAS 50907-31-8

Catalog:	BB027260
Product Name:	5-(2,6-Dichlorophenyl)-1H-tetrazole
CAS:	50907-31-8
Synonyms:	5-(2,6-dichlorophenyl)-2H-tetrazole; 5-(2,6-dichlorophenyl)-2H-tetrazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(2,6-dichlorophenyl)-2H-tetrazole
Description:	5-(2,6-Dichlorophenyl)-1H-tetrazole (CAS# 50907-31-8) is a useful research chemical.
Molecular Weight:	215.04
Molecular Formula:	C7H4Cl2N4
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)C2=NNN=N2)Cl
InChI:	InChI=1S/C7H4Cl2N4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:	RLXQNTWJPTUTCL-UHFFFAOYSA-N
Boiling Point:	399.9 °C at 760 mmHg
Density:	1.574 g/cm³
Appearance:	White to off white powder
MDL:	MFCD00798373
LogP:	2.17350

Publication Number	Title	Priority Date
US-2006211739-A1	Use of selective P2X7 receptor antagonists	20050208
WO-2006086229-A1	The use of selective p2x7 receptor antagonists	20050208
EP-0761680-A2	Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity	19950912
US-5710153-A	Tetrazole compound	19950912

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Related Functional Groups

Triazole/Tetrazole

[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823829-53-3]
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[138169-43-4]
MTS Reagent

Complexity:	170
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4