4-Chloro-5-nitrophthalimide - CAS 6015-57-2

Name: 4-Chloro-5-nitrophthalimide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030603
Product Name:	4-Chloro-5-nitrophthalimide
CAS:	6015-57-2
Synonyms:	5-chloro-6-nitroisoindole-1,3-dione; 5-chloro-6-nitroisoindole-1,3-dione

Technical Data

IUPAC Name:	5-chloro-6-nitroisoindole-1,3-dione
Description:	4-Chloro-5-nitrophthalimide (CAS# 6015-57-2) is a reagent used in the synthesis of novel benzimidazoles as antibacterial agents. Also used to prepare saludiuretic and anti-hypertensive agents.
Molecular Weight:	226.57
Molecular Formula:	C8H3ClN2O4
Canonical SMILES:	C1=C2C(=CC(=C1[N+](=O)[O-])Cl)C(=O)NC2=O
InChI:	InChI=1S/C8H3ClN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13)
InChI Key:	ADLVDYMTBOSDFE-UHFFFAOYSA-N
Boiling Point:	626.8 °C at 760 mmHg
Density:	1.725 g/cm³
MDL:	MFCD00052331
LogP:	1.98380

Publication Number	Title	Priority Date
CN-104447498-A	Phthalimide derivatives as well as preparation method and application thereof	20141212
CN-104447498-B	Phthalimide derivatives as well as preparation method and application thereof	20141212
WO-2012037155-A2	Tyrosine kinase inhibitors	20100913
CA-2724430-A1	Heterocyclic compounds as factor ixa inhibitors	20080519
EP-2300435-A2	Heterocyclic compounds as factor ixa inhibitors	20080519

PMID	Publication Date	Title	Journal
22986309	20121107	Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts	Dalton transactions (Cambridge, England : 2003)
23008192	20121105	A highly active bifunctional iridium complex with an alcohol/alkoxide-tethered N-heterocyclic carbene for alkylation of amines with alcohols	Chemistry (Weinheim an der Bergstrasse, Germany)
22931227	20121031	A benzobisimidazolium-based fluorescent and colorimetric chemosensor for CO2	Journal of the American Chemical Society
22955291	20121028	Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4	Dalton transactions (Cambridge, England : 2003)
22987481	20121022	Preparation of stable low-oxidation-state group 14 element amidohydrides and hydride-mediated ring-expansion chemistry of N-heterocyclic carbenes	Chemistry (Weinheim an der Bergstrasse, Germany)

Complexity:	340
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.9781343
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.9781343
Rotatable Bond Count:	0
Topological Polar Surface Area:	92
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2