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

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

Literatures

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

Publication Number	Title	Priority Date
CN-112939963-A	Benzopyranoic acid ester derivative and synthesis method and application thereof	20210326
CN-113025324-A	Double-excitation double-emission fluorescent probe CQDs-O-NBD and application thereof	20210317
CN-113087703-A	Photosensitizer capable of specifically marking lipid droplets and preparation method thereof	20210303
CN-112794917-A	Polypeptide imaging probe and preparation method and application thereof	20210129
CN-112679535-A	Small molecule PAD4 inhibitor and preparation method and application thereof	20210106

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

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-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

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