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Benzoxadiazoles

Organic heterocyclic compounds that consist of benzene fused with an oxadiazole; oxadiazoles are a five-membered ring with two carbon atoms, one oxygen atom, and two nitrogen atoms.
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1

5-Bromo-2,1,3-benzoxadiazole, 97%, Thermo Scientific™

CAS: 51376-06-8 Molecular Formula: C6H3BrN2O Molecular Weight (g/mol): 199.01 MDL Number: MFCD02682026 InChI Key: ZWDFFESFCIACQC-UHFFFAOYSA-N Synonym: 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54 PubChem CID: 2776298 IUPAC Name: 5-bromo-2,1,3-benzoxadiazole SMILES: BrC1=CC2=NON=C2C=C1

PubChem CID 2776298
CAS 51376-06-8
Molecular Weight (g/mol) 199.01
MDL Number MFCD02682026
SMILES BrC1=CC2=NON=C2C=C1
Synonym 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54
IUPAC Name 5-bromo-2,1,3-benzoxadiazole
InChI Key ZWDFFESFCIACQC-UHFFFAOYSA-N
Molecular Formula C6H3BrN2O
2

2,1,3-Benzoxadiazole-4-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 114322-14-4 Molecular Formula: C6H3ClN2O3S Molecular Weight (g/mol): 218.611 InChI Key: SIYWVPMYOGMRDW-UHFFFAOYSA-N Synonym: benzofurazan-4-sulfonyl chloride,benzofurazan-4-sulphonyl chloride,2,1,3-benzoxadiazole-4-sulfonylchloride,benzo 1,2,5 oxadiazole-4-sulfonyl chloride,benzo c 1,2,5 oxadiazole-4-sulfonyl chloride,2,1,3-benzoxadiazole-4-sulphonyl chloride,acmc-20echy,pubchem5461,4-chlorosulphonylbenzofurazan,benzofurazan4-sulfonyl chloride PubChem CID: 2735446 IUPAC Name: 2,1,3-benzoxadiazole-4-sulfonyl chloride SMILES: C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl

PubChem CID 2735446
CAS 114322-14-4
Molecular Weight (g/mol) 218.611
SMILES C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl
Synonym benzofurazan-4-sulfonyl chloride,benzofurazan-4-sulphonyl chloride,2,1,3-benzoxadiazole-4-sulfonylchloride,benzo 1,2,5 oxadiazole-4-sulfonyl chloride,benzo c 1,2,5 oxadiazole-4-sulfonyl chloride,2,1,3-benzoxadiazole-4-sulphonyl chloride,acmc-20echy,pubchem5461,4-chlorosulphonylbenzofurazan,benzofurazan4-sulfonyl chloride
IUPAC Name 2,1,3-benzoxadiazole-4-sulfonyl chloride
InChI Key SIYWVPMYOGMRDW-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O3S
3

5-(Bromomethyl)-2,1,3-benzoxadiazole, 97%, Thermo Scientific™

CAS: 32863-31-3 Molecular Formula: C7H5BrN2O Molecular Weight (g/mol): 213.03 MDL Number: MFCD00174369 InChI Key: BUJFLTNYWUEROF-UHFFFAOYSA-N Synonym: 5-bromomethyl-2,1,3-benzoxadiazole,5-bromomethyl benzo c 1,2,5 oxadiazole,5-bromomethylbenzofurazan,5-bromomethyl benzofurazan,2,1,3-benzoxadiazole, 5-bromomethyl,zlchem 1034,5-bromomethylbenzofurazane,5-bromomethyl benzo c furazan,5-bromomethyl-benzo 1,2,5 oxadiazole,5-bromomethyl-2,1,3-benzooxadiazole PubChem CID: 2735587 IUPAC Name: 5-(bromomethyl)-2,1,3-benzoxadiazole SMILES: BrCC1=CC2=NON=C2C=C1

PubChem CID 2735587
CAS 32863-31-3
Molecular Weight (g/mol) 213.03
MDL Number MFCD00174369
SMILES BrCC1=CC2=NON=C2C=C1
Synonym 5-bromomethyl-2,1,3-benzoxadiazole,5-bromomethyl benzo c 1,2,5 oxadiazole,5-bromomethylbenzofurazan,5-bromomethyl benzofurazan,2,1,3-benzoxadiazole, 5-bromomethyl,zlchem 1034,5-bromomethylbenzofurazane,5-bromomethyl benzo c furazan,5-bromomethyl-benzo 1,2,5 oxadiazole,5-bromomethyl-2,1,3-benzooxadiazole
IUPAC Name 5-(bromomethyl)-2,1,3-benzoxadiazole
InChI Key BUJFLTNYWUEROF-UHFFFAOYSA-N
Molecular Formula C7H5BrN2O
4
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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofurazan, 97%

CAS: 1073355-14-2 Molecular Formula: C12H15BN2O3 Molecular Weight (g/mol): 246.07 MDL Number: MFCD09842717 InChI Key: MQXANAGMQAYTMV-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzo c 1,2,5 oxadiazole,benzofurazan-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,1,3-benzoxadiazole,benzofurazan-5-boronic acid, pinacol ester,benzo c 1,2,5 oxadiazole-5-boronic acid, pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzofurazan,benzo c 1,2,5 oxadiazole-5-boronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,1,3-benzoxadiazole,benzo c 1,2,5 oxadiazol-5-ylboronic acid pinacol ester,amtb001 PubChem CID: 46738004 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole SMILES: CC1(C)OB(OC1(C)C)C1=CC2=NON=C2C=C1

PubChem CID 46738004
CAS 1073355-14-2
Molecular Weight (g/mol) 246.07
MDL Number MFCD09842717
SMILES CC1(C)OB(OC1(C)C)C1=CC2=NON=C2C=C1
Synonym 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzo c 1,2,5 oxadiazole,benzofurazan-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,1,3-benzoxadiazole,benzofurazan-5-boronic acid, pinacol ester,benzo c 1,2,5 oxadiazole-5-boronic acid, pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzofurazan,benzo c 1,2,5 oxadiazole-5-boronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,1,3-benzoxadiazole,benzo c 1,2,5 oxadiazol-5-ylboronic acid pinacol ester,amtb001
IUPAC Name 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole
InChI Key MQXANAGMQAYTMV-UHFFFAOYSA-N
Molecular Formula C12H15BN2O3
5
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4-Fluoro-7-nitrobenzofurazan, 98%

CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.1 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]

PubChem CID 122123
CAS 29270-56-2
Molecular Weight (g/mol) 183.1
MDL Number MFCD00010196
SMILES C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole
IUPAC Name 4-fluoro-7-nitro-2,1,3-benzoxadiazole
InChI Key PGZIDERTDJHJFY-UHFFFAOYSA-N
Molecular Formula C6H2FN3O3
6
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5-Bromobenzofurazan, 97%

CAS: 51376-06-8 Molecular Formula: C6H3BrN2O Molecular Weight (g/mol): 199.01 MDL Number: MFCD02682026 InChI Key: ZWDFFESFCIACQC-UHFFFAOYSA-N Synonym: 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54 PubChem CID: 2776298 IUPAC Name: 5-bromo-2,1,3-benzoxadiazole SMILES: BrC1=CC2=NON=C2C=C1

PubChem CID 2776298
CAS 51376-06-8
Molecular Weight (g/mol) 199.01
MDL Number MFCD02682026
SMILES BrC1=CC2=NON=C2C=C1
Synonym 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54
IUPAC Name 5-bromo-2,1,3-benzoxadiazole
InChI Key ZWDFFESFCIACQC-UHFFFAOYSA-N
Molecular Formula C6H3BrN2O
7
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4-Chloro-7-nitrobenzofurazan, 98%

CAS: 10199-89-0 Molecular Formula: C6H2ClN3O3 Molecular Weight (g/mol): 199.55 MDL Number: MFCD00005808 InChI Key: IGHBXJSNZCFXNK-UHFFFAOYSA-N Synonym: 4-chloro-7-nitrobenzofurazan,nbd chloride,4-chloro-7-nitrobenzo-2-oxa-1,3-diazole,nbd-cl,7-chloro-4-nitrobenzofurazan,2,1,3-benzoxadiazole, 4-chloro-7-nitro,nbd-chloride,nbd-c 1,1-chloro-4-nitrobenzoxadiazole,4-nitro-7-chlorobenzofurazan PubChem CID: 25043 ChEBI: CHEBI:78878 IUPAC Name: 4-chloro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]

PubChem CID 25043
CAS 10199-89-0
Molecular Weight (g/mol) 199.55
ChEBI CHEBI:78878
MDL Number MFCD00005808
SMILES C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]
Synonym 4-chloro-7-nitrobenzofurazan,nbd chloride,4-chloro-7-nitrobenzo-2-oxa-1,3-diazole,nbd-cl,7-chloro-4-nitrobenzofurazan,2,1,3-benzoxadiazole, 4-chloro-7-nitro,nbd-chloride,nbd-c 1,1-chloro-4-nitrobenzoxadiazole,4-nitro-7-chlorobenzofurazan
IUPAC Name 4-chloro-7-nitro-2,1,3-benzoxadiazole
InChI Key IGHBXJSNZCFXNK-UHFFFAOYSA-N
Molecular Formula C6H2ClN3O3
8
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Benzofurazan-4-sulfonyl chloride, 97%

CAS: 114322-14-4 Molecular Formula: C6H3ClN2O3S Molecular Weight (g/mol): 218.611 MDL Number: MFCD00068072 InChI Key: SIYWVPMYOGMRDW-UHFFFAOYSA-N Synonym: benzofurazan-4-sulfonyl chloride,benzofurazan-4-sulphonyl chloride,2,1,3-benzoxadiazole-4-sulfonylchloride,benzo 1,2,5 oxadiazole-4-sulfonyl chloride,benzo c 1,2,5 oxadiazole-4-sulfonyl chloride,2,1,3-benzoxadiazole-4-sulphonyl chloride,acmc-20echy,pubchem5461,4-chlorosulphonylbenzofurazan,benzofurazan4-sulfonyl chloride PubChem CID: 2735446 IUPAC Name: 2,1,3-benzoxadiazole-4-sulfonyl chloride SMILES: C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl

PubChem CID 2735446
CAS 114322-14-4
Molecular Weight (g/mol) 218.611
MDL Number MFCD00068072
SMILES C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl
Synonym benzofurazan-4-sulfonyl chloride,benzofurazan-4-sulphonyl chloride,2,1,3-benzoxadiazole-4-sulfonylchloride,benzo 1,2,5 oxadiazole-4-sulfonyl chloride,benzo c 1,2,5 oxadiazole-4-sulfonyl chloride,2,1,3-benzoxadiazole-4-sulphonyl chloride,acmc-20echy,pubchem5461,4-chlorosulphonylbenzofurazan,benzofurazan4-sulfonyl chloride
IUPAC Name 2,1,3-benzoxadiazole-4-sulfonyl chloride
InChI Key SIYWVPMYOGMRDW-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O3S
9

4-Fluoro-7-nitrobenzofurazan

CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.098 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]

PubChem CID 122123
CAS 29270-56-2
Molecular Weight (g/mol) 183.098
MDL Number MFCD00010196
SMILES C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole
IUPAC Name 4-fluoro-7-nitro-2,1,3-benzoxadiazole
InChI Key PGZIDERTDJHJFY-UHFFFAOYSA-N
Molecular Formula C6H2FN3O3
10

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Sigma Aldrich 1-(4-aminomethyl-phenyl)-pyrrolidin-2-one hydrochloride

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Sigma Aldrich Cyclopentylacetylene

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Sigma Aldrich Hexadecyl isocyanate

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