1-(3-Bromophenyl)tetrazole - CAS 65697-41-8

Catalog:	BB032793
Product Name:	1-(3-Bromophenyl)tetrazole
CAS:	65697-41-8
Synonyms:	1-(3-bromophenyl)tetrazole; 1-(3-bromophenyl)tetrazole

Technical Data

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Computed Properties

IUPAC Name:	1-(3-bromophenyl)tetrazole
Description:	1-(3-Bromophenyl)tetrazole (CAS# 65697-41-8) is a useful research chemical.
Molecular Weight:	225.05
Molecular Formula:	C7H5BrN4
Canonical SMILES:	C1=CC(=CC(=C1)Br)N2C=NN=N2
InChI:	InChI=1S/C7H5BrN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H
InChI Key:	CRCFDMMRNPZPJY-UHFFFAOYSA-N
LogP:	1.42480

Publication Number	Title	Priority Date
WO-2019136442-A1	Cd16a binding agents and uses thereof	20180108
CN-105801507-A	1-(3-bromophenyl)-1H-tetrazole preparation method	20160526
EP-3212616-A1	Inhibitors of the renal outer medullary potassium channel	20141030
US-2017275298-A1	Inhibitors of the renal outer medullary potassium channel	20141030
WO-2016065582-A1	Inhibitors of the renal outer medullary potassium channel	20141030

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Related Functional Groups

Triazole/Tetrazole

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[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[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
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.96976
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.96976
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8