4-Chloro-7-nitrobenzofurazan - CAS 10199-89-0

Name: 4-Chloro-7-nitrobenzofurazan
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000731
Product Name:	4-Chloro-7-nitrobenzofurazan
CAS:	10199-89-0
Synonyms:	4-chloro-7-nitro-2,1,3-benzoxadiazole

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	4-chloro-7-nitro-2,1,3-benzoxadiazole
Description:	A fluorescent reagent used to evaluate peptides, pharmaceutical drugs and other bioactive compounds.
Molecular Weight:	199.55
Molecular Formula:	C6H2ClN3O3
Canonical SMILES:	C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChI Key:	IGHBXJSNZCFXNK-UHFFFAOYSA-N
Boiling Point:	333.1±45.0 °C at 760 Torr
Melting Point:	96.5-97.0 °C
Density:	1.711±0.06 g/cm³
Storage:	Store in a cool and dry place (or refer to the Certificate of Analysis).
MDL:	MFCD00005808
LogP:	2.30760

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Related Functional Groups

Oxadiazole/Thiadiazole

[881476-28-4]C14H11F3N4O3
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1171337-26-0]C11H13ClN4O3
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]C12H16N4O3
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]C14H15F3N4O3
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]C11H9N3O5
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H301 (23.31%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
28513426	20171001	Pharmacokinetics and bioequivalence of a pregabalin 150-mg capsule in healthy Thai subjects	International journal of clinical pharmacology and therapeutics
28104439	20170401	Up-regulation of CYP1A1 and phase II enzymes by 5-ring isomeric polycyclic aromatic hydrocarbons in precision-cut rat hepatic slices: Importance of molecular shape	Toxicology in vitro : an international journal published in association with BIBRA
23122070	20130115	Syzygium aqueum leaf extract and its bioactive compounds enhances pre-adipocyte differentiation and 2-NBDG uptake in 3T3-L1 cells	Food chemistry
22960544	20121201	The cholesterol content of the erythrocyte membrane is an important determinant of phosphatidylserine exposure	Biochimica et biophysica acta
22948221	20121101	Isoorientin reverts TNF-α-induced insulin resistance in adipocytes activating the insulin signaling pathway	Endocrinology

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.9784686
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.9784686
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6