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Benzoxadiazoles

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 – 15 of 31 results
1

2,1,3-Benzoxadiazol-4-amine, 97%, Thermo Scientific™

CAS: 767-63-5 Molecular Formula: C6H5N3O Molecular Weight (g/mol): 135.126 MDL Number: MFCD00168448 InChI Key: IPCMVRZVNJHUHR-UHFFFAOYSA-N Synonym: 4-aminobenzofurazan,benzo 1,2,5 oxadiazol-4-ylamine,2,1,3-benzooxadiazol-4-ylamine,benzo c 1,2,5-oxadiazole-4-ylamine,benzofurazan-4-amine,benzofurazane-4-amine,acmc-209p5u,2,1,3-benzoxadiazol-7-amine,2,1,3-benzoxadiazol-4-ylamine,benzo c 1,2,5 oxadiazol-4-amine PubChem CID: 584570 IUPAC Name: 2,1,3-benzoxadiazol-4-amine SMILES: C1=CC2=NON=C2C(=C1)N

PubChem CID 584570
CAS 767-63-5
Molecular Weight (g/mol) 135.126
MDL Number MFCD00168448
SMILES C1=CC2=NON=C2C(=C1)N
Synonym 4-aminobenzofurazan,benzo 1,2,5 oxadiazol-4-ylamine,2,1,3-benzooxadiazol-4-ylamine,benzo c 1,2,5-oxadiazole-4-ylamine,benzofurazan-4-amine,benzofurazane-4-amine,acmc-209p5u,2,1,3-benzoxadiazol-7-amine,2,1,3-benzoxadiazol-4-ylamine,benzo c 1,2,5 oxadiazol-4-amine
IUPAC Name 2,1,3-benzoxadiazol-4-amine
InChI Key IPCMVRZVNJHUHR-UHFFFAOYSA-N
Molecular Formula C6H5N3O
2

2,1,3-Benzoxadiazole, 97%, Thermo Scientific™

CAS: 273-09-6 Molecular Formula: C6H4N2O Molecular Weight (g/mol): 120.111 InChI Key: AWBOSXFRPFZLOP-UHFFFAOYSA-N Synonym: benzofurazan,benzo c 1,2,5 oxadiazole,benzofurazane,2,1,3-benzoxadiazol,benzo-2,1,3-oxadiazole,2-oxa-1,3-diaza-2h-isoindene,3,5-cyclohexadiene-1,2-dione, dioxime, furazan,pubchem22999,acmc-209gwb PubChem CID: 67501 IUPAC Name: 2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C=C1

PubChem CID 67501
CAS 273-09-6
Molecular Weight (g/mol) 120.111
SMILES C1=CC2=NON=C2C=C1
Synonym benzofurazan,benzo c 1,2,5 oxadiazole,benzofurazane,2,1,3-benzoxadiazol,benzo-2,1,3-oxadiazole,2-oxa-1,3-diaza-2h-isoindene,3,5-cyclohexadiene-1,2-dione, dioxime, furazan,pubchem22999,acmc-209gwb
IUPAC Name 2,1,3-benzoxadiazole
InChI Key AWBOSXFRPFZLOP-UHFFFAOYSA-N
Molecular Formula C6H4N2O
4

Benzofurazan-5-boronic acid pinacol ester, 97%, Thermo Scientific Chemicals

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

4-Fluoro-7-nitrobenzofurazan, 98%, Thermo Scientific Chemicals

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

5-Methylbenzofuroxan, 97%, Thermo Scientific™

CAS: 19164-41-1 Molecular Formula: C7H6N2O2 Molecular Weight (g/mol): 150.137 MDL Number: MFCD00068057 InChI Key: HCWVKDOCXDWFEH-UHFFFAOYSA-N Synonym: 5-methylbenzofuroxan,benzofurazan, 5-methyl-, 1-oxide,5-methylbenzofurazan-1-oxide,5-methyl-2,1,3-benzoxadiazol-1-ium-1-olate,5-methylbenzofurazan oxide,2,1,3-benzoxadiazole, 5-methyl-, monooxide,5-methylbenzofurazan 1-oxide,acmc-20am21,5-methylbenzfurazan-1-oxide,5-methylbenzofurazan n-oxide PubChem CID: 140486 IUPAC Name: 5-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium SMILES: CC1=CC2=NO[N+](=C2C=C1)[O-]

PubChem CID 140486
CAS 19164-41-1
Molecular Weight (g/mol) 150.137
MDL Number MFCD00068057
SMILES CC1=CC2=NO[N+](=C2C=C1)[O-]
Synonym 5-methylbenzofuroxan,benzofurazan, 5-methyl-, 1-oxide,5-methylbenzofurazan-1-oxide,5-methyl-2,1,3-benzoxadiazol-1-ium-1-olate,5-methylbenzofurazan oxide,2,1,3-benzoxadiazole, 5-methyl-, monooxide,5-methylbenzofurazan 1-oxide,acmc-20am21,5-methylbenzfurazan-1-oxide,5-methylbenzofurazan n-oxide
IUPAC Name 5-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium
InChI Key HCWVKDOCXDWFEH-UHFFFAOYSA-N
Molecular Formula C7H6N2O2
7

2,1,3-Benzoxadiazol-4-ylmethanol, Thermo Scientific™

CAS: 175609-19-5 Molecular Formula: C7H6N2O2 Molecular Weight (g/mol): 150.14 MDL Number: MFCD04115376 InChI Key: OKDMFOBEJCALFD-UHFFFAOYSA-N Synonym: 4-hydroxymethylbenzofurazan,benzo c 1,2,5 oxadiazol-4-ylmethanol,4-hydroxymethyl-benzo c 1,2,5 oxadiazole,2,1,3-benzoxadiazole-4-methanol,1,2,3-benzoxadiazol-4-ylmethanol,benzo c 1,2,5-oxadiazol-4-ylmethan-1-ol PubChem CID: 2795215 IUPAC Name: 2,1,3-benzoxadiazol-4-ylmethanol SMILES: OCC1=CC=CC2=NON=C12

PubChem CID 2795215
CAS 175609-19-5
Molecular Weight (g/mol) 150.14
MDL Number MFCD04115376
SMILES OCC1=CC=CC2=NON=C12
Synonym 4-hydroxymethylbenzofurazan,benzo c 1,2,5 oxadiazol-4-ylmethanol,4-hydroxymethyl-benzo c 1,2,5 oxadiazole,2,1,3-benzoxadiazole-4-methanol,1,2,3-benzoxadiazol-4-ylmethanol,benzo c 1,2,5-oxadiazol-4-ylmethan-1-ol
IUPAC Name 2,1,3-benzoxadiazol-4-ylmethanol
InChI Key OKDMFOBEJCALFD-UHFFFAOYSA-N
Molecular Formula C7H6N2O2
9

7-Fluorobenzofurazan-4-sulfonamide, 98%, Thermo Scientific Chemicals

CAS: 91366-65-3 Molecular Formula: C6H4FN3O3S Molecular Weight (g/mol): 217.17 MDL Number: MFCD00036687 InChI Key: XROXHZMRDABMHS-UHFFFAOYSA-N Synonym: abd-f,4-aminosulfonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzofurazan-4-sulfonamide,4-fluoro-7-sulfamoylbenzofurazan,7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonamide,4-aminosulphonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonamide,pubchem23230,4-fluoro-7-sulfamoylbenzofurazane,4-fluoro-7-sulfoamoylbenzofurazan PubChem CID: 122067 IUPAC Name: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(F)C2=NON=C12

PubChem CID 122067
CAS 91366-65-3
Molecular Weight (g/mol) 217.17
MDL Number MFCD00036687
SMILES NS(=O)(=O)C1=CC=C(F)C2=NON=C12
Synonym abd-f,4-aminosulfonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzofurazan-4-sulfonamide,4-fluoro-7-sulfamoylbenzofurazan,7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonamide,4-aminosulphonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonamide,pubchem23230,4-fluoro-7-sulfamoylbenzofurazane,4-fluoro-7-sulfoamoylbenzofurazan
IUPAC Name 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key XROXHZMRDABMHS-UHFFFAOYSA-N
Molecular Formula C6H4FN3O3S
10

2,1,3-Benzoxadiazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 19155-88-5 Molecular Formula: C7H3N2O3 Molecular Weight (g/mol): 163.11 MDL Number: MFCD00276977 InChI Key: WZUFYJFTOVGJJT-UHFFFAOYSA-M Synonym: benzo c 1,2,5 oxadiazole-5-carboxylic acid,benzofurazan-5-carboxylic acid,5-benzofurazancarboxylic acid,benzo c 1,2,5-oxadiazole-5-carboxylic acid,pubchem3995,maybridge1_002587,4-bromo-2,6-dimethylanisole,,2,1,3-benzoxadiazole-5-carboxylicacid,benzo 1,2,5 oxadiazole-5-carboxylic acid,benzo 2,1,3 oxadiazole-5-carboxylic acid PubChem CID: 2735454 IUPAC Name: 2,1,3-benzoxadiazole-5-carboxylic acid SMILES: [O-]C(=O)C1=CC2=NON=C2C=C1

PubChem CID 2735454
CAS 19155-88-5
Molecular Weight (g/mol) 163.11
MDL Number MFCD00276977
SMILES [O-]C(=O)C1=CC2=NON=C2C=C1
Synonym benzo c 1,2,5 oxadiazole-5-carboxylic acid,benzofurazan-5-carboxylic acid,5-benzofurazancarboxylic acid,benzo c 1,2,5-oxadiazole-5-carboxylic acid,pubchem3995,maybridge1_002587,4-bromo-2,6-dimethylanisole,,2,1,3-benzoxadiazole-5-carboxylicacid,benzo 1,2,5 oxadiazole-5-carboxylic acid,benzo 2,1,3 oxadiazole-5-carboxylic acid
IUPAC Name 2,1,3-benzoxadiazole-5-carboxylic acid
InChI Key WZUFYJFTOVGJJT-UHFFFAOYSA-M
Molecular Formula C7H3N2O3
12

Benzofuroxan, 98%, Thermo Scientific Chemicals

CAS: 480-96-6 Molecular Formula: C6H4N2O2 Molecular Weight (g/mol): 136.11 MDL Number: MFCD00005807 InChI Key: OKEAMBAZBICIFP-UHFFFAOYSA-N Synonym: benzofuroxan,benzofuroxane,benzofurazan 1-oxide,benzofurazan oxide,2,1,3-benzoxadiazole 1-oxide,2,1,3-benzoxadiazole, 1-oxide,benzofurazan, 1-oxide,2,1,3-benzoxadiazol-1-ium-1-olate,benzo c 1,2,5-oxadiazol-1-ol,benzofurazan n-oxide PubChem CID: 68075 IUPAC Name: 3-oxido-2,1,3-benzoxadiazol-3-ium SMILES: C1=CC2=NO[N+](=C2C=C1)[O-]

PubChem CID 68075
CAS 480-96-6
Molecular Weight (g/mol) 136.11
MDL Number MFCD00005807
SMILES C1=CC2=NO[N+](=C2C=C1)[O-]
Synonym benzofuroxan,benzofuroxane,benzofurazan 1-oxide,benzofurazan oxide,2,1,3-benzoxadiazole 1-oxide,2,1,3-benzoxadiazole, 1-oxide,benzofurazan, 1-oxide,2,1,3-benzoxadiazol-1-ium-1-olate,benzo c 1,2,5-oxadiazol-1-ol,benzofurazan n-oxide
IUPAC Name 3-oxido-2,1,3-benzoxadiazol-3-ium
InChI Key OKEAMBAZBICIFP-UHFFFAOYSA-N
Molecular Formula C6H4N2O2
13

7-Fluorobenzofurazan-4-sulfonic acid ammonium salt, 99%, Thermo Scientific Chemicals

CAS: 84806-27-9 Molecular Formula: C6H6FN3O4S Molecular Weight (g/mol): 235.189 MDL Number: MFCD02682109 InChI Key: JXLHNMVSKXFWAO-UHFFFAOYSA-N Synonym: sbd-f,7-fluorobenzofurazan-4-sulfonic acid ammonium salt,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulphonate,azanium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonate,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonic acid, azamethane,2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluoro-, ammonium salt 1:1 PubChem CID: 2737780 IUPAC Name: azanium;7-fluoro-2,1,3-benzoxadiazole-4-sulfonate SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]

PubChem CID 2737780
CAS 84806-27-9
Molecular Weight (g/mol) 235.189
MDL Number MFCD02682109
SMILES C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]
Synonym sbd-f,7-fluorobenzofurazan-4-sulfonic acid ammonium salt,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulphonate,azanium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonate,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonic acid, azamethane,2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluoro-, ammonium salt 1:1
IUPAC Name azanium;7-fluoro-2,1,3-benzoxadiazole-4-sulfonate
InChI Key JXLHNMVSKXFWAO-UHFFFAOYSA-N
Molecular Formula C6H6FN3O4S
14

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofurazan, 97%, Thermo Scientific Chemicals

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
15

4-Chloro-7-nitrobenzofurazan, 98%, Thermo Scientific Chemicals

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