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NBD-Cl

NBD-Cl structure

CAS No:
10199-89-0
Formula:
C6H2ClN3O3
Chemical Name:
NBD-Cl
Synonyms:
2,1,3-Benzoxadiazole,4-chloro-7-nitro-;Benzofurazan,4-chloro-7-nitro-;4-Chloro-7-nitro-2,1,3-benzoxadiazole;7-Chloro-4-nitro-2,1,3-benzoxadiazole;4-Chloro-7-nitrobenzofurazan;7-Chloro-4-nitrobenzo-2-oxa-1,3-diazole;4-Chloro-7-nitro-2,1,3-benzooxadiazole;7-Chloro-4-nitrobenzofurazan;NBD-Cl;4-Chloro-7-nitrobenz-2-oxa-1,3-diazole;7-Nitro-4-chlorobenzofurazan;7-Nitrobenzo-2-oxa-1,3-diazol-4-yl chloride;NSC 228140;4-Chloro-7-nitrobenzo[c][1,2,5]oxadiazole;4-Chloro-7-nitrobezofurazan;1431536-46-7
Categories:
Analytical Chemistry > Liquid Chromatography

Description

yellow to light brown crystalline powderChEBI: A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group.

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 a fluorescent probe, a fluorochrome, an EC 3.6.1.3 (adenosinetriphosphatase) inhibitor and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is a benzoxadiazole, a C-nitro compound and an organochlorine compound.|A benzofuran derivative used as a protein reagent since the terminal N-NBD-protein conjugate possesses interesting fluorescence and spectral properties. It has also been used as a covalent inhibitor of both beef heart mitochondrial ATPase and bacterial ATPase.

NBD-Cl Basic Attributes

Molecular Weight：

199.55

Exact Mass：

199.55

BRN：

614212

EC Number：

233-496-4

UNII：

EQF2794IRE

NSC Number：

228140

DSSTox ID：

DTXSID2064995

HScode：

29349990

Characteristics

PSA：

84.7

XLogP3：

2.07

Appearance：

Yellow to light brown Crystalline Powder

Density：

2.0589 (rough estimate)

Melting Point：

96.5-97.0 °C

Boiling Point：

333.1±45.0 °C(Predicted)

Flash Point：

155.3±28.7 °C

Refractive Index：

1.5810 (estimate)

Water Solubility：

H2O: soluble ;soluble in methanol, dimethylsulfoxide, dimethylformamide and chloroform.

Storage Conditions：

2-8°C

Vapor Pressure：

0.000269mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

22-36/38

safety instructions：

36/37/39

RTECS Number：

DF8002400

Marks：

Xn,Xi

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Danger|H301 (23.31%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501|Aggregated GHS information provided by 163 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|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 and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

MeSH Entry Terms：

4 Chloro 7 nitrobenzofurazan

NBD-Cl Use and Manufacturing

Uses

A fluorescent reagent

Manufacturing Info：

2,1,3-Benzoxadiazole, 4-chloro-7-nitro-: ACTIVE

Computed Properties

Molecular Weight:199.55
XLogP3:1.6
Hydrogen Bond Acceptor Count:5
Exact Mass:198.9784686
Monoisotopic Mass:198.9784686
Topological Polar Surface Area:84.7
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 10199-89-0

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Guide of NBD-Cl

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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NBD-Cl

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