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Benzoxadiazoler

Organiske heterocykliske forbindelser, der består af benzen fusioneret med en oxadiazol; oxadiazoler er en femleddet ring med to carbonatomer, et oxygenatom og to nitrogenatomer.

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1

MBD, 98 %, Thermo Scientific Chemicals

CAS: 33984-50-8 Molekylær formel: C14H12N4O4 Molekylvægt (g/mol): 300.26 InChI nøgle: IENONFJSMWUIQQ-UHFFFAOYSA-N Synonym: 4-4-methoxybenzylamino-7-nitrobenzofurazan,4-4-methoxybenzylamino-7-nitro-2,1,3-benzoxadiazole,mbd,7-p-methoxybenzylamino-4-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazol-4-amine, n-4-methoxyphenyl methyl-7-nitro,benzofurazan, 4-p-methoxybenzyl amino-7-nitro,n-4-methoxyphenyl methyl-7-nitro-2,1,3-benzoxadiazol-4-amine PubChem CID: 99555 IUPAC navn: N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amin SMIL: COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

PubChem CID 99555
Molekylvægt (g/mol) 300.26
CAS 33984-50-8
Synonym 4-4-methoxybenzylamino-7-nitrobenzofurazan,4-4-methoxybenzylamino-7-nitro-2,1,3-benzoxadiazole,mbd,7-p-methoxybenzylamino-4-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazol-4-amine, n-4-methoxyphenyl methyl-7-nitro,benzofurazan, 4-p-methoxybenzyl amino-7-nitro,n-4-methoxyphenyl methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
SMIL COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
IUPAC navn N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amin
InChI nøgle IENONFJSMWUIQQ-UHFFFAOYSA-N
Molekylær formel C14H12N4O4
2

Benzofuroxan, 98%

CAS: 480-96-6 Molekylær formel: C6H4N2O2 Molekylvægt (g/mol): 136.11 MDL nummer: MFCD00005807 InChI nøgle: 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 navn: 3-oxido-2,1,3-benzoxadiazol-3-ium SMIL: C1=CC2=NO[N+](=C2C=C1)[O-]

MDL nummer MFCD00005807
PubChem CID 68075
Molekylvægt (g/mol) 136.11
CAS 480-96-6
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
SMIL C1=CC2=NO[N+](=C2C=C1)[O-]
IUPAC navn 3-oxido-2,1,3-benzoxadiazol-3-ium
InChI nøgle OKEAMBAZBICIFP-UHFFFAOYSA-N
Molekylær formel C6H4N2O2
3

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

CAS: 273-09-6 Molekylær formel: C6H4N2O Molekylvægt (g/mol): 120.111 InChI nøgle: 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 navn: 2,1,3-benzoxadiazol SMIL: C1=CC2=NON=C2C=C1

PubChem CID 67501
Molekylvægt (g/mol) 120.111
CAS 273-09-6
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
SMIL C1=CC2=NON=C2C=C1
IUPAC navn 2,1,3-benzoxadiazol
InChI nøgle AWBOSXFRPFZLOP-UHFFFAOYSA-N
Molekylær formel C6H4N2O
4

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

CAS: 175609-19-5 Molekylær formel: C7H6N2O2 Molekylvægt (g/mol): 150.14 MDL nummer: MFCD04115376 InChI nøgle: 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 navn: 2,1,3-benzoxadiazol-4-ylmethanol SMIL: OCC1=CC=CC2=NON=C12

MDL nummer MFCD04115376
PubChem CID 2795215
Molekylvægt (g/mol) 150.14
CAS 175609-19-5
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
SMIL OCC1=CC=CC2=NON=C12
IUPAC navn 2,1,3-benzoxadiazol-4-ylmethanol
InChI nøgle OKDMFOBEJCALFD-UHFFFAOYSA-N
Molekylær formel C7H6N2O2
5

2,1,3-benzoxadiazol-4-amin, 97 %, Thermo Scientific™

CAS: 767-63-5 Molekylær formel: C6H5N3O Molekylvægt (g/mol): 135.126 MDL nummer: MFCD00168448 InChI nøgle: 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 navn: 2,1,3-benzoxadiazol-4-amin SMIL: C1=CC2=NON=C2C(=C1)N

MDL nummer MFCD00168448
PubChem CID 584570
Molekylvægt (g/mol) 135.126
CAS 767-63-5
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
SMIL C1=CC2=NON=C2C(=C1)N
IUPAC navn 2,1,3-benzoxadiazol-4-amin
InChI nøgle IPCMVRZVNJHUHR-UHFFFAOYSA-N
Molekylær formel C6H5N3O
6

7-Fluorobenzofurazan-4-sulfonamide, 98%

CAS: 91366-65-3 Molekylær formel: C6H4FN3O3S Molekylvægt (g/mol): 217.17 MDL nummer: MFCD00036687 InChI nøgle: 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 navn: 7-fluor-2,1,3-benzoxadiazol-4-sulfonamid SMIL: NS(=O)(=O)C1=CC=C(F)C2=NON=C12

MDL nummer MFCD00036687
PubChem CID 122067
Molekylvægt (g/mol) 217.17
CAS 91366-65-3
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
SMIL NS(=O)(=O)C1=CC=C(F)C2=NON=C12
IUPAC navn 7-fluor-2,1,3-benzoxadiazol-4-sulfonamid
InChI nøgle XROXHZMRDABMHS-UHFFFAOYSA-N
Molekylær formel C6H4FN3O3S
7

Benzofurazan, 97%

CAS: 273-09-6 Molekylær formel: C6H4N2O Molekylvægt (g/mol): 120.111 MDL nummer: MFCD00068064 InChI nøgle: 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 navn: 2,1,3-benzoxadiazol SMIL: C1=CC2=NON=C2C=C1

MDL nummer MFCD00068064
PubChem CID 67501
Molekylvægt (g/mol) 120.111
CAS 273-09-6
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
SMIL C1=CC2=NON=C2C=C1
IUPAC navn 2,1,3-benzoxadiazol
InChI nøgle AWBOSXFRPFZLOP-UHFFFAOYSA-N
Molekylær formel C6H4N2O
9

7-fluorbenzofurazan-4-sulfonsyre ammoniumsalt, 99%, Thermo Scientific Chemicals

CAS: 84806-27-9 Molekylær formel: C6H6FN3O4S Molekylvægt (g/mol): 235.189 MDL nummer: MFCD02682109 InChI nøgle: 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 navn: azanium;7-fluor-2,1,3-benzoxadiazol-4-sulfonat SMIL: C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]

MDL nummer MFCD02682109
PubChem CID 2737780
Molekylvægt (g/mol) 235.189
CAS 84806-27-9
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
SMIL C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]
IUPAC navn azanium;7-fluor-2,1,3-benzoxadiazol-4-sulfonat
InChI nøgle JXLHNMVSKXFWAO-UHFFFAOYSA-N
Molekylær formel C6H6FN3O4S
10

Benzofurazan-4-sulfonyl chloride, 97%

CAS: 114322-14-4 Molekylær formel: C6H3ClN2O3S Molekylvægt (g/mol): 218.611 MDL nummer: MFCD00068072 InChI nøgle: 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 navn: 2,1,3-benzoxadiazol-4-sulfonylchlorid SMIL: C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl

MDL nummer MFCD00068072
PubChem CID 2735446
Molekylvægt (g/mol) 218.611
CAS 114322-14-4
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
SMIL C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl
IUPAC navn 2,1,3-benzoxadiazol-4-sulfonylchlorid
InChI nøgle SIYWVPMYOGMRDW-UHFFFAOYSA-N
Molekylær formel C6H3ClN2O3S
11

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

CAS: 10199-89-0 Molekylær formel: C6H2ClN3O3 Molekylvægt (g/mol): 199.55 MDL nummer: MFCD00005808 InChI nøgle: 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 navn: 4-chlor-7-nitro-2,1,3-benzoxadiazol SMIL: C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]

MDL nummer MFCD00005808
PubChem CID 25043
Molekylvægt (g/mol) 199.55
CAS 10199-89-0
ChEBI CHEBI:78878
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
SMIL C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-]
IUPAC navn 4-chlor-7-nitro-2,1,3-benzoxadiazol
InChI nøgle IGHBXJSNZCFXNK-UHFFFAOYSA-N
Molekylær formel C6H2ClN3O3
13

7-fluorbenzo-2-oxa-1,3-diazol-4-sulfonsyre ammoniumsalt, MP Biomedicals™

CAS: 84806-27-9 Molekylær formel: C6H6FN3O4S Molekylvægt (g/mol): 235.189 MDL nummer: MFCD02682109 InChI nøgle: 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 navn: azanium;7-fluor-2,1,3-benzoxadiazol-4-sulfonat SMIL: C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]

MDL nummer MFCD02682109
PubChem CID 2737780
Molekylvægt (g/mol) 235.189
CAS 84806-27-9
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
SMIL C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]
IUPAC navn azanium;7-fluor-2,1,3-benzoxadiazol-4-sulfonat
InChI nøgle JXLHNMVSKXFWAO-UHFFFAOYSA-N
Molekylær formel C6H6FN3O4S
14

Benzofurazan-5-boronsyre pinacol ester, 97%, Thermo Scientific Chemicals

CAS: 1073355-14-2 Molekylær formel: C12H15BN2O3 Molekylvægt (g/mol): 246.07 MDL nummer: MFCD09842717 InChI nøgle: 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 navn: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazol SMIL: CC1(C)OB(OC1(C)C)C1=CC2=NON=C2C=C1

MDL nummer MFCD09842717
PubChem CID 46738004
Molekylvægt (g/mol) 246.07
CAS 1073355-14-2
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
SMIL CC1(C)OB(OC1(C)C)C1=CC2=NON=C2C=C1
IUPAC navn 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazol
InChI nøgle MQXANAGMQAYTMV-UHFFFAOYSA-N
Molekylær formel C12H15BN2O3