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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

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
2

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
3

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
4

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
5

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
6

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
7

5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 175203-78-8 Molecular Formula: C6H2Cl2N2O3S Molecular Weight (g/mol): 253.05 MDL Number: MFCD00203878 InChI Key: ZFBZICACMDZKNQ-UHFFFAOYSA-N Synonym: 5-chlorobenzofurazan-4-sulfonyl chloride,5-chlorobenzo c 1,2,5 oxadiazole-4-sulfonyl chloride,pubchem5077,2,1,3-benzoxadiazole-4-sulfonylchloride,5-chloro,5-chloro-2,1,3-benzoxadiazole-4-sulphonyl chloride,2,1,3-benzoxadiazole-4-sulfonylchloride, 5-chloro,5-chloranyl-2,1,3-benzoxadiazole-4-sulfonyl chloride,5-chloro-benzo 1,2,5 oxadiazole-4-sulfonyl chloride PubChem CID: 2779275 IUPAC Name: 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride SMILES: ClC1=C(C2=NON=C2C=C1)S(Cl)(=O)=O

PubChem CID 2779275
CAS 175203-78-8
Molecular Weight (g/mol) 253.05
MDL Number MFCD00203878
SMILES ClC1=C(C2=NON=C2C=C1)S(Cl)(=O)=O
Synonym 5-chlorobenzofurazan-4-sulfonyl chloride,5-chlorobenzo c 1,2,5 oxadiazole-4-sulfonyl chloride,pubchem5077,2,1,3-benzoxadiazole-4-sulfonylchloride,5-chloro,5-chloro-2,1,3-benzoxadiazole-4-sulphonyl chloride,2,1,3-benzoxadiazole-4-sulfonylchloride, 5-chloro,5-chloranyl-2,1,3-benzoxadiazole-4-sulfonyl chloride,5-chloro-benzo 1,2,5 oxadiazole-4-sulfonyl chloride
IUPAC Name 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
InChI Key ZFBZICACMDZKNQ-UHFFFAOYSA-N
Molecular Formula C6H2Cl2N2O3S
8

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
11

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
12

5-Methoxybenzofuroxan, 97%, Thermo Scientific™

CAS: 7791-49-3 Molecular Formula: C7H6N2O3 Molecular Weight (g/mol): 166.136 MDL Number: MFCD00068052 InChI Key: ABSKHUSUHODMEL-UHFFFAOYSA-N Synonym: 5-methoxybenzofurazan-1-oxide,5-methoxy-2,1,3-benzoxadiazole 1-oxide,5-methoxy-2,1,3-benzoxadiazol-1-ium-1-olate,5-methoxybenzofuroxane,5-methoxybenzofurazane 1-oxide,5-methoxybenzofurazan, 1-oxide,5-methoxybenzo c 1,2,5-oxadiazol-1-ol,2,1,3-benzoxadiazole,5-methoxy-,1-oxide,2,1,3-benzoxadiazole, 5-methoxy-, monooxide PubChem CID: 321028 IUPAC Name: 5-methoxy-1-oxido-2,1,3-benzoxadiazol-1-ium SMILES: COC1=CC2=NO[N+](=C2C=C1)[O-]

PubChem CID 321028
CAS 7791-49-3
Molecular Weight (g/mol) 166.136
MDL Number MFCD00068052
SMILES COC1=CC2=NO[N+](=C2C=C1)[O-]
Synonym 5-methoxybenzofurazan-1-oxide,5-methoxy-2,1,3-benzoxadiazole 1-oxide,5-methoxy-2,1,3-benzoxadiazol-1-ium-1-olate,5-methoxybenzofuroxane,5-methoxybenzofurazane 1-oxide,5-methoxybenzofurazan, 1-oxide,5-methoxybenzo c 1,2,5-oxadiazol-1-ol,2,1,3-benzoxadiazole,5-methoxy-,1-oxide,2,1,3-benzoxadiazole, 5-methoxy-, monooxide
IUPAC Name 5-methoxy-1-oxido-2,1,3-benzoxadiazol-1-ium
InChI Key ABSKHUSUHODMEL-UHFFFAOYSA-N
Molecular Formula C7H6N2O3
13

Potassium benzofurazan-5-trifluoroborate, 95%, Thermo Scientific™

CAS: 1225608-24-1 Molecular Formula: C6H3BF3KN2O Molecular Weight (g/mol): 226.007 MDL Number: MFCD09800741 InChI Key: VVXGHNBCIPLVLI-UHFFFAOYSA-N Synonym: potassium benzofurazan-5-trifluoroborate,potassium benzo c 1,2,5 oxadiazole-5-trifluoroborate,potassium 2,1,3-benzoxadiazol-5-yltrifluoroboranuide,amtb089,potassium 2,1,3-benzoxadiazol-5-yl trifluoroboranuide,potassium benzo c 1,2,5 oxadiazol-5-yltrifluoroborate,potassium 2,1,3-benzoxadiazol-5-yl trifluoro borate 1- PubChem CID: 46738069 IUPAC Name: potassium;2,1,3-benzoxadiazol-5-yl(trifluoro)boranuide SMILES: [B-](C1=CC2=NON=C2C=C1)(F)(F)F.[K+]

PubChem CID 46738069
CAS 1225608-24-1
Molecular Weight (g/mol) 226.007
MDL Number MFCD09800741
SMILES [B-](C1=CC2=NON=C2C=C1)(F)(F)F.[K+]
Synonym potassium benzofurazan-5-trifluoroborate,potassium benzo c 1,2,5 oxadiazole-5-trifluoroborate,potassium 2,1,3-benzoxadiazol-5-yltrifluoroboranuide,amtb089,potassium 2,1,3-benzoxadiazol-5-yl trifluoroboranuide,potassium benzo c 1,2,5 oxadiazol-5-yltrifluoroborate,potassium 2,1,3-benzoxadiazol-5-yl trifluoro borate 1-
IUPAC Name potassium;2,1,3-benzoxadiazol-5-yl(trifluoro)boranuide
InChI Key VVXGHNBCIPLVLI-UHFFFAOYSA-N
Molecular Formula C6H3BF3KN2O
14

Benzofuroxan-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 6086-24-4 Molecular Formula: C7H4N2O4 Molecular Weight (g/mol): 180.119 MDL Number: MFCD00068056 InChI Key: AXRCJZJVVZUOHN-UHFFFAOYSA-N Synonym: 5-carboxy-2,1,3-benzoxadiazol-1-ium-1-olate,benzofuroxan-5-carboxylic acid,1-hydroxybenzo c 1,2,5-oxadiazole-5-carboxylic acid,2,1,3-benzoxadiazole-5-carboxylic acid 1-oxide,2,1,3-benzoxadiazole-5-carboxylic acid n-oxide,2,1,3-benzoxadiazole-5-carboxylicacid, 1-oxide,1-oxo-2,1??,3-benzoxadiazole-5-carboxylic acid PubChem CID: 335281 IUPAC Name: 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid SMILES: C1=CC2=[N+](ON=C2C=C1C(=O)O)[O-]

PubChem CID 335281
CAS 6086-24-4
Molecular Weight (g/mol) 180.119
MDL Number MFCD00068056
SMILES C1=CC2=[N+](ON=C2C=C1C(=O)O)[O-]
Synonym 5-carboxy-2,1,3-benzoxadiazol-1-ium-1-olate,benzofuroxan-5-carboxylic acid,1-hydroxybenzo c 1,2,5-oxadiazole-5-carboxylic acid,2,1,3-benzoxadiazole-5-carboxylic acid 1-oxide,2,1,3-benzoxadiazole-5-carboxylic acid n-oxide,2,1,3-benzoxadiazole-5-carboxylicacid, 1-oxide,1-oxo-2,1??,3-benzoxadiazole-5-carboxylic acid
IUPAC Name 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid
InChI Key AXRCJZJVVZUOHN-UHFFFAOYSA-N
Molecular Formula C7H4N2O4
15

4-Methyl-2,1,3-benzoxadiazole, 95%, Thermo Scientific™

CAS: 29091-40-5 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.14 MDL Number: MFCD00100600 InChI Key: PTXJEYIAUIOTSH-UHFFFAOYSA-N Synonym: 4-methylbenzo c 1,2,5 oxadiazole,4-methylbenzofurazan,4-methyl-benzofurazan,4-methyl-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole, 4-methyl,methylbenzfurazan,2,1,3-benzoxadiazole,4-methyl,# PubChem CID: 584114 IUPAC Name: 4-methyl-2,1,3-benzoxadiazole SMILES: CC1=CC=CC2=NON=C12

PubChem CID 584114
CAS 29091-40-5
Molecular Weight (g/mol) 134.14
MDL Number MFCD00100600
SMILES CC1=CC=CC2=NON=C12
Synonym 4-methylbenzo c 1,2,5 oxadiazole,4-methylbenzofurazan,4-methyl-benzofurazan,4-methyl-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole, 4-methyl,methylbenzfurazan,2,1,3-benzoxadiazole,4-methyl,#
IUPAC Name 4-methyl-2,1,3-benzoxadiazole
InChI Key PTXJEYIAUIOTSH-UHFFFAOYSA-N
Molecular Formula C7H6N2O