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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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31 – 45 of 165 results
31

4-(N,N-Dimethylaminosulfonyl)-7-amino-2,1,3-benzoxadiazole 98.0+%, TCI America™

CAS: 147611-83-4 Molecular Formula: C8H10N4O3S Molecular Weight (g/mol): 242.253 InChI Key: ZRHMJRAHRITJBK-UHFFFAOYSA-N PubChem CID: 44629982 IUPAC Name: 7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N

PubChem CID 44629982
CAS 147611-83-4
Molecular Weight (g/mol) 242.253
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N
IUPAC Name 7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key ZRHMJRAHRITJBK-UHFFFAOYSA-N
Molecular Formula C8H10N4O3S
32

(S)-(+)-NBD-APy [=(S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole], TCI America™

CAS: 143112-52-1 Molecular Formula: C10H11N5O3 Molecular Weight (g/mol): 249.23 MDL Number: MFCD00191509 InChI Key: QSDDQXROWUJAJX-UHFFFAOYNA-N Synonym: (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682841 IUPAC Name: 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine SMILES: NC1CCN(C1)C1=CC=C(C2=NON=C12)[N+]([O-])=O

PubChem CID 15682841
CAS 143112-52-1
Molecular Weight (g/mol) 249.23
MDL Number MFCD00191509
SMILES NC1CCN(C1)C1=CC=C(C2=NON=C12)[N+]([O-])=O
Synonym (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine
InChI Key QSDDQXROWUJAJX-UHFFFAOYNA-N
Molecular Formula C10H11N5O3
33

DBD-H 98.0+%, TCI America™

CAS: 131467-86-2 Molecular Formula: C8H11N5O3S Molecular Weight (g/mol): 257.268 MDL Number: MFCD00191376 InChI Key: VPDDJYGQJSTHTA-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-hydrazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole PubChem CID: 131382 IUPAC Name: 7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN

PubChem CID 131382
CAS 131467-86-2
Molecular Weight (g/mol) 257.268
MDL Number MFCD00191376
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-hydrazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole
IUPAC Name 7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key VPDDJYGQJSTHTA-UHFFFAOYSA-N
Molecular Formula C8H11N5O3S
34

(R)-(-)-DBD-APy 98.0+%, TCI America™

CAS: 143112-49-6 Molecular Formula: C12H17N5O3S Molecular Weight (g/mol): 311.36 MDL Number: MFCD00191379 InChI Key: SZJGHUNJZRXXCA-MRVPVSSYSA-N Synonym: (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682838 IUPAC Name: 7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N

PubChem CID 15682838
CAS 143112-49-6
Molecular Weight (g/mol) 311.36
MDL Number MFCD00191379
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N
Synonym (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key SZJGHUNJZRXXCA-MRVPVSSYSA-N
Molecular Formula C12H17N5O3S
35

(R)-(-)-NBD-Py-NCS 98.0+%, TCI America™

CAS: 163927-29-5 Molecular Formula: C11H9N5O3S Molecular Weight (g/mol): 291.285 MDL Number: MFCD02093434 InChI Key: CHKCHHTYBXOUKH-SSDOTTSWSA-N Synonym: (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 16218431 IUPAC Name: 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole SMILES: C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

PubChem CID 16218431
CAS 163927-29-5
Molecular Weight (g/mol) 291.285
MDL Number MFCD02093434
SMILES C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
Synonym (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole
IUPAC Name 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole
InChI Key CHKCHHTYBXOUKH-SSDOTTSWSA-N
Molecular Formula C11H9N5O3S
36

AABD-SH (=4-Acetamido-7-mercapto-2,1,3-benzoxadiazole) 95.0+%, TCI America™

CAS: 254973-02-9 Molecular Formula: C8H7N3O2S Molecular Weight (g/mol): 209.223 MDL Number: MFCD04038408 InChI Key: JPARFDNKICYVCE-UHFFFAOYSA-N Synonym: 4-Acetamido-7-mercaptobenzofurazan, 4-Acetamido-7-mercapto-2,1,3-benzoxadiazole PubChem CID: 44630078 IUPAC Name: N-(4-sulfanylidene-1H-2,1,3-benzoxadiazol-7-yl)acetamide SMILES: CC(=O)NC1=C2C(=NON2)C(=S)C=C1

PubChem CID 44630078
CAS 254973-02-9
Molecular Weight (g/mol) 209.223
MDL Number MFCD04038408
SMILES CC(=O)NC1=C2C(=NON2)C(=S)C=C1
Synonym 4-Acetamido-7-mercaptobenzofurazan, 4-Acetamido-7-mercapto-2,1,3-benzoxadiazole
IUPAC Name N-(4-sulfanylidene-1H-2,1,3-benzoxadiazol-7-yl)acetamide
InChI Key JPARFDNKICYVCE-UHFFFAOYSA-N
Molecular Formula C8H7N3O2S
37

(S)-(+)-DBD-APy 98.0+%, TCI America™

CAS: 143112-50-9 Molecular Formula: C12H17N5O3S Molecular Weight (g/mol): 311.36 MDL Number: MFCD00191378 InChI Key: SZJGHUNJZRXXCA-UHFFFAOYNA-N Synonym: (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682839 IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(N2CCC(N)C2)C2=NON=C12

PubChem CID 15682839
CAS 143112-50-9
Molecular Weight (g/mol) 311.36
MDL Number MFCD00191378
SMILES CN(C)S(=O)(=O)C1=CC=C(N2CCC(N)C2)C2=NON=C12
Synonym (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key SZJGHUNJZRXXCA-UHFFFAOYNA-N
Molecular Formula C12H17N5O3S
38

(S)-(+)-DBD-Py-NCS 98.0+%, TCI America™

CAS: 163927-32-0 Molecular Formula: C13H15N5O3S2 Molecular Weight (g/mol): 353.415 MDL Number: MFCD00671494 InChI Key: YMXYIIXTKUQWPC-VIFPVBQESA-N Synonym: (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 16218753 IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S

PubChem CID 16218753
CAS 163927-32-0
Molecular Weight (g/mol) 353.415
MDL Number MFCD00671494
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S
Synonym (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key YMXYIIXTKUQWPC-VIFPVBQESA-N
Molecular Formula C13H15N5O3S2
39

4-Chloro-2,1,3-benzoxadiazole 98.0+%, TCI America™

CAS: 7116-16-7 Molecular Formula: C6H3ClN2O Molecular Weight (g/mol): 154.553 MDL Number: MFCD00191329 InChI Key: YLEBWUGKYMZPQQ-UHFFFAOYSA-N Synonym: 4-Chlorobenzofurazan PubChem CID: 592984 IUPAC Name: 4-chloro-2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C(=C1)Cl

PubChem CID 592984
CAS 7116-16-7
Molecular Weight (g/mol) 154.553
MDL Number MFCD00191329
SMILES C1=CC2=NON=C2C(=C1)Cl
Synonym 4-Chlorobenzofurazan
IUPAC Name 4-chloro-2,1,3-benzoxadiazole
InChI Key YLEBWUGKYMZPQQ-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O
40

NBD-F (=4-Fluoro-7-nitro-2,1,3-benzoxadiazole) 99.0+%, TCI America™

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
41

2,1,3-Benzoxadiazole 98.0+%, TCI America™

CAS: 273-09-6 Molecular Formula: C6H4N2O Molecular Weight (g/mol): 120.111 MDL Number: MFCD00068064 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
MDL Number MFCD00068064
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
42

DBD-ED [=4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole], TCI America™

CAS: 189373-41-9 Molecular Formula: C10H15N5O3S Molecular Weight (g/mol): 285.322 MDL Number: MFCD01321129 InChI Key: RDMBHRPODMXKHT-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole PubChem CID: 4125780 IUPAC Name: 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN

PubChem CID 4125780
CAS 189373-41-9
Molecular Weight (g/mol) 285.322
MDL Number MFCD01321129
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole
IUPAC Name 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key RDMBHRPODMXKHT-UHFFFAOYSA-N
Molecular Formula C10H15N5O3S
43

ABD-F 98.0+%, TCI America™

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
44

4-Fluoro-2,1,3-benzoxadiazole 98.0+%, TCI America™

CAS: 29270-55-1 Molecular Formula: C6H3FN2O Molecular Weight (g/mol): 138.101 MDL Number: MFCD03425566 InChI Key: QKZQJBBZKDVVFI-UHFFFAOYSA-N Synonym: 4-Fluorobenzofurazan PubChem CID: 4607136 IUPAC Name: 4-fluoro-2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C(=C1)F

PubChem CID 4607136
CAS 29270-55-1
Molecular Weight (g/mol) 138.101
MDL Number MFCD03425566
SMILES C1=CC2=NON=C2C(=C1)F
Synonym 4-Fluorobenzofurazan
IUPAC Name 4-fluoro-2,1,3-benzoxadiazole
InChI Key QKZQJBBZKDVVFI-UHFFFAOYSA-N
Molecular Formula C6H3FN2O
45

DAABD-Cl [=4-[2-(Dimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole], TCI America™

CAS: 664985-43-7 Molecular Formula: C10H13ClN4O3S Molecular Weight (g/mol): 304.749 InChI Key: RJEYFWVHUXSWTA-UHFFFAOYSA-N Synonym: 4-[2-(Dimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole PubChem CID: 44629802 IUPAC Name: 4-chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-7-sulfonamide SMILES: CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)Cl

PubChem CID 44629802
CAS 664985-43-7
Molecular Weight (g/mol) 304.749
SMILES CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)Cl
Synonym 4-[2-(Dimethylamino)ethylaminosulfonyl]-7-chloro-2,1,3-benzoxadiazole
IUPAC Name 4-chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-7-sulfonamide
InChI Key RJEYFWVHUXSWTA-UHFFFAOYSA-N
Molecular Formula C10H13ClN4O3S