2-(1H-Tetrazol-5-yl)aniline - CAS 18216-38-1

Catalog:	BB013878
Product Name:	2-(1H-Tetrazol-5-yl)aniline
CAS:	18216-38-1
Synonyms:	2-(2H-tetrazol-5-yl)aniline; 2-(2H-tetrazol-5-yl)aniline

Technical Data

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Computed Properties

IUPAC Name:	2-(2H-tetrazol-5-yl)aniline
Description:	2-(1H-Tetrazol-5-yl)aniline (CAS# 18216-38-1) is a useful research chemical compound.
Molecular Weight:	161.16
Molecular Formula:	C7H7N5
Canonical SMILES:	C1=CC=C(C(=C1)C2=NNN=N2)N
InChI:	InChI=1S/C7H7N5/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChI Key:	GUCGQKSPWMDAEX-UHFFFAOYSA-N
Boiling Point:	410.5 °C at 760 mmHg
Density:	1.401 g/cm³
MDL:	MFCD00188730
LogP:	1.03010

Publication Number	Title	Priority Date
WO-2021113689-A1	Spak/osr inhibitors and methods of using same	20191206
JP-2019194709-A	Method for manufacturing substrate for touch panel with cured film, photosensitive resin composition, photosensitive element and touch panel	20190605
TW-201925413-A	Chemical mechanical polishing composition	20171122
WO-2019101555-A1	Chemical mechanical polishing composition	20171122
CN-111356747-A	Chemical mechanical polishing composition	20171122

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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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.07014524
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.07014524
Rotatable Bond Count:	1
Topological Polar Surface Area:	80.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5