5-Amino-3-(3-bromophenyl)pyrazole - CAS 149246-81-1

Catalog:	BB010388
Product Name:	5-Amino-3-(3-bromophenyl)pyrazole
CAS:	149246-81-1
Synonyms:	5-(3-bromophenyl)-1H-pyrazol-3-amine; 5-(3-bromophenyl)-1H-pyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-(3-bromophenyl)-1H-pyrazol-3-amine
Description:	5-Amino-3-(3-bromophenyl)pyrazole (CAS# 149246-81-1) is a useful research chemical.
Molecular Weight:	238.08
Molecular Formula:	C9H8BrN3
Canonical SMILES:	C1=CC(=CC(=C1)Br)C2=CC(=NN2)N
InChI:	InChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChI Key:	NQFSHBKZGKSELV-UHFFFAOYSA-N
Boiling Point:	470.6 °C at 760 mmHg
Density:	1.645 g/cm³
LogP:	3.00260

Publication Number	Title	Priority Date
CN-111808259-A	3D printing silicone rubber and preparation method and application thereof	20200716
CN-111808259-B	3D printing silicone rubber and preparation method and application thereof	20200716
US-2017197966-A1	Pyrazolotriazines as inhibitors of nucleases	20140620
US-9969741-B2	Pyrazolotriazines as inhibitors of nucleases	20140620
WO-2015192817-A1	Pyrazolotriazines as inhibitors of nucleases	20140620

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.99016
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.99016
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2