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5-Chloro-4-nitro-2,1,3-benzoselenadiazole

HCID 4366221
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
20718-46-1
Standard SMILES
O=[N+]([O-])c1c(Cl)ccc2n[se]nc12
InChIKey
TZPWJERFLDFTSH-UHFFFAOYSA-N
Molecular formula
C6H2ClN3O2Se
Average molar mass
262.52 g/mol
Monoisotopic mass
262.90007528

Names & identifiers

Preferred name
5-Chloro-4-nitro-2,1,3-benzoselenadiazole
IUPAC
5-chloro-4-nitro-2,1,3-benzoselenadiazole
English name
5-Chloro-4-nitro-2,1,3-benzoselenadiazole
Molecular formula
C6H2ClN3O2Se
Molecular weight
262.51

Names & synonyms

5-chloro-4-nitro-2,1,3-benzoselenadiazole20718-46-1DTXSID00402424RefChem:302569DTXCID903532792,1,3-Benzoselenadiazole, 5-chloro-4-nitro-C6H2ClN3O2SeSCHEMBL259961TZPWJERFLDFTSH-UHFFFAOYSA-NMFCD02169893AKOS005108032MS-2332
Show more names
5-Chloro-4-nitrobenzo-2,1,3-selenadiazoleCarbamic acid, [2-[(9-chloro-5,10-dihydro-5,10-dioxobenzo[g]isoquinolin-6-yl)amino]ethyl-, 1,1-dimethylethyl ester
DB-2423295-chloro-4-nitro-benzo[1,2,5]selenadiazole5-Chloro-4-nitrobenzo[c][1,2,5]selenadiazole

Database identifiers

CAS
20718-46-1
PubChem CID
4366221
DTXSID
DTXSID00402424
Nikkaji
J2.136.676E、J443.283E

Properties

Computed structural propertiesFilling in

Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
224

Physicochemical properties

Melting point
232 · 232-233°C
solubility
DMOS, Ethyl Acetate, Methanol
form
Solid
color
Yellow
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

Uses5-Chloro-4-nitro-2,1,3-benzoselenadiazole (cas# 20718-46-1) is a compound useful in organic synthesis.

Suppliers7 total

武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

18 records
New reaction record
HRID 173430 reaction equation
HRID 173430As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 505237 reaction equation
HRID 505237As reactantuspto-grants-2010_08
HRID 505238 reaction equation
HRID 505238As productuspto-grants-2010_08
HRID 551059 reaction equation
HRID 551059As productuspto-grants-2011_05
HRID 551060 reaction equation
HRID 551060As reactantuspto-grants-2011_05
HRID 641422 reaction equation
HRID 641422As productuspto-grants-2010_04
HRID 641423 reaction equation
HRID 641423As reactantuspto-grants-2010_04
HRID 1094131 reaction equation
HRID 1094131As productuspto-grants-2012_03
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Compound notes

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