4-Chlor-7-nitrobenzo-2-oxa-1,3-diazol

NBD-Cl

HCID 25043CAS 10199-89-0

Grundinformationen

Standard-SMILES
O=[N+]([O-])c1ccc(Cl)c2nonc12
InChIKey
IGHBXJSNZCFXNK-UHFFFAOYSA-N
Summenformel
C6H2ClN3O3
Durchschnittliche Molmasse
199,55 g/mol
Monoisotopische Masse
198,9784686

Überblick

4-chloro-7-nitrobenzofurazan is a benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor, a fluorescent probe, a fluorochrome and an EC 3.6.1.3 (adenosinetriphosphatase) inhibitor. It is a C-nitro compound, an organochlorine compound and a benzoxadiazole.

Namen und Bezeichner

Bevorzugter Name
NBD-Cl
IUPAC
4-chloro-7-nitro-2,1,3-benzoxadiazole
Lokaler Name
4-Chlor-7-nitrobenzo-2-oxa-1,3-diazol
Englischer Name
4-Chloro-7-nitrobenzofurazan
Summenformel
C6H2ClN3O3
Molmasse
199.55

Namen und Synonyme

10199-89-04-Chloro-7-nitrobenzofurazan4-Chloro-7-nitro-2,1,3-benzoxadiazoleNBD-Cl2,1,3-Benzoxadiazole, 4-chloro-7-nitro-NBD-chloride7-Chloro-4-nitrobenzofurazan1-Chloro-4-nitrobenzoxadiazoleNBD-C 17-Chloro-4-nitrobenzo-2-oxa-1,3-diazole4-Nitro-7-chlorobenzofurazanNBF-Cl
Weitere Namen anzeigen
4-chloro-7-nitrobenzo[c][1,2,5]oxadiazole4-Chloro-7-nitro-1,2,3-benzoxadiazoleNBD CHLORIDENBD chloride,98%4-chloro-7-nitrobenzofurazaneBenzofurazan, 4-chloro-7-nitro-4-chloro-7-nitrobenzo-2,1,3-oxadiazole
ChloronitrobenzoxadiazoleEQF2794IREDTXSID2064995CHEBI:78878NSC-228140Nitrobenzoxadiazole ChlorideChloride, NBDNBF Cl

Datenbank-Bezeichner

CAS
10199-89-0
PubChem CID
25043
DTXSID
DTXSID2064995
ChEMBL
CHEMBL1743207
ChEBI
CHEBI:78878
UNII
EQF2794IRE
EC Number
233-496-4
Nikkaji
J76.301B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
84,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
97 · 97-99 °C(lit.)
Siedepunkt
333.1 · 333.1±45.0 °C(Predicted)
Dichte
2.0589 · 2.0589 (rough estimate)
Brechungsindex
1.581 · 1.5810 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
Soluble in methanol, dimethylsulfoxide, dimethylformamide and chloroform.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (23.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 164 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzofurazan, 4-chloro-7-nitro-

2,1,3-Benzoxadiazole, 4-chloro-7-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (23.2%)

Sicherheitsdaten

F
10-21
wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29349990
RTECS-Nr.
DF8002400

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Verwendung und Herstellung

General Manufacturing Information2,1,3-Benzoxadiazole, 4-chloro-7-nitro-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4-Chloro-7-nitrobenzofurazan is nonfluorescent until it reacts with primary or secondary amines to produce a fluorescent product. 4-Chloro-7-nitrobenzofurazan has been extensively used as a derivatizing reagent for chromatography analysis of amino acids and low molecular weight amines.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group.

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