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Structure

4-Nitro-2,1,3-benzoselenadiazole

CAS
20718-41-6
Catalog Number
ACM20718416
Category
Other Products; Alkenes
Molecular Weight
228.07
Molecular Formula
C6H3N3O2Se

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Specification

Synonyms
4-Nitro-2,1,3-benzoselenadiazole, SBB016587, 4-nitrobenzo[c]1,2,5-selenadiazole, AC1N4V5B, 467235_ALDRICH, PUKFAFPOBCMYAI-UHFFFAOYSA-, MolPort-000-679-710, AKOS000121294, MCULE-7237673909, ST50329647, InChI=1/C6H3N3O2Se/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H, 20718-41-6
IUPAC Name
4-nitro-2,1,3-benzoselenadiazole
Canonical SMILES
C1=CC2=N[Se]N=C2C(=C1)[N+](=O)[O-]
InChI Key
PUKFAFPOBCMYAI-UHFFFAOYSA-N
Boiling Point
356.3ºC at 760 mmHg
Melting Point
221ºC (dec.)(lit.)
Flash Point
169.3ºC
Exact Mass
228.93900
Hazard Statements
T,N
H-Bond Acceptor
4
H-Bond Donor
0
RIDADR
UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
Symbol
GHS02
What is the molecular formula of 4-Nitro-2,1,3-benzoselenadiazole?

The molecular formula of 4-Nitro-2,1,3-benzoselenadiazole is C6H3N3O2Se.

What is the molecular weight of 4-Nitro-2,1,3-benzoselenadiazole?

The molecular weight of 4-Nitro-2,1,3-benzoselenadiazole is 228.08 g/mol.

What is the IUPAC name of 4-Nitro-2,1,3-benzoselenadiazole?

The IUPAC name of 4-Nitro-2,1,3-benzoselenadiazole is 4-nitro-2,1,3-benzoselenadiazole.

What is the InChI of 4-Nitro-2,1,3-benzoselenadiazole?

The InChI of 4-Nitro-2,1,3-benzoselenadiazole is InChI=1S/C6H3N3O2Se/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H.

What is the InChIKey of 4-Nitro-2,1,3-benzoselenadiazole?

The InChIKey of 4-Nitro-2,1,3-benzoselenadiazole is PUKFAFPOBCMYAI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Nitro-2,1,3-benzoselenadiazole?

The canonical SMILES of 4-Nitro-2,1,3-benzoselenadiazole is C1=CC2=N[Se]N=C2C(=C1)[N+](=O)[O-].

What is the CAS number of 4-Nitro-2,1,3-benzoselenadiazole?

The CAS number of 4-Nitro-2,1,3-benzoselenadiazole is 20718-41-6.

What is the European Community (EC) number of 4-Nitro-2,1,3-benzoselenadiazole?

The European Community (EC) number of 4-Nitro-2,1,3-benzoselenadiazole is 630-708-0.

What is the DSSTox Substance ID of 4-Nitro-2,1,3-benzoselenadiazole?

The DSSTox Substance ID of 4-Nitro-2,1,3-benzoselenadiazole is DTXSID30400099.

Is 4-Nitro-2,1,3-benzoselenadiazole a canonicalized compound?

Yes, 4-Nitro-2,1,3-benzoselenadiazole is a canonicalized compound according to PubChem.

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