3-Amino-5-(2-furyl)pyrazole - CAS 96799-02-9

Catalog:	BB042007
Product Name:	3-Amino-5-(2-furyl)pyrazole
CAS:	96799-02-9
Synonyms:	5-(2-furanyl)-1H-pyrazol-3-amine; 5-(furan-2-yl)-1H-pyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-(furan-2-yl)-1H-pyrazol-3-amine
Description:	3-Amino-5-(2-furyl)pyrazole (CAS# 96799-02-9) is a useful research chemical.
Molecular Weight:	149.15
Molecular Formula:	C7H7N3O
Canonical SMILES:	C1=COC(=C1)C2=CC(=NN2)N
InChI:	InChI=1S/C7H7N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)
InChI Key:	XJNZHICOWTVWOX-UHFFFAOYSA-N
Boiling Point:	429.9 °C at 760 mmHg
Density:	1.339 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD00052276
LogP:	1.83310

Publication Number	Title	Priority Date
TW-201925413-A	Chemical mechanical polishing composition	20171122
WO-2019101555-A1	Chemical mechanical polishing composition	20171122
EP-3714012-A1	Chemical mechanical polishing composition	20171122
KR-20200086347-A	Chemical mechanical polishing composition	20171122
US-2020299547-A1	Chemical mechanical polishing composition	20171122

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GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.058911855
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6