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Isobenzofurans

Organic heterocyclic compounds that consist of a furan ring and a benzene ring fused together to form a bicycle; they are isomers of benzofuran.

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1

Thermo Scientific Chemicals Fluorescein isothiocyanate, isomer 1, 95%

CAS: 3326-32-7 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.381 MDL Number: MFCD00005063 InChI Key: MHMNJMPURVTYEJ-UHFFFAOYSA-N Synonym: fitc,fluorescein isothiocyanate isomer i,5-isothiocyanatofluorescein,fluorescein 5-isothiocyanate,5-fitc,fluorescein-5-isothiocyanate,fluorescein 5 6-isothiocyanate,fitc isomer 1,unii-i223nx31w9,fitc isomer PubChem CID: 18730 ChEBI: CHEBI:37918 IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

EDGE
PubChem CID 18730
CAS 3326-32-7
Molecular Weight (g/mol) 389.381
ChEBI CHEBI:37918
MDL Number MFCD00005063
SMILES C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Synonym fitc,fluorescein isothiocyanate isomer i,5-isothiocyanatofluorescein,fluorescein 5-isothiocyanate,5-fitc,fluorescein-5-isothiocyanate,fluorescein 5 6-isothiocyanate,fitc isomer 1,unii-i223nx31w9,fitc isomer
IUPAC Name 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key MHMNJMPURVTYEJ-UHFFFAOYSA-N
Molecular Formula C21H11NO5S
2

Pyromellitic dianhydride, 98%

CAS: 89-32-7 Molecular Formula: C10H2O6 Molecular Weight (g/mol): 218.12 MDL Number: MFCD00005005 InChI Key: ANSXAPJVJOKRDJ-UHFFFAOYSA-N Synonym: pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride PubChem CID: 6966 SMILES: O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O

PubChem CID 6966
CAS 89-32-7
Molecular Weight (g/mol) 218.12
MDL Number MFCD00005005
SMILES O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O
Synonym pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride
InChI Key ANSXAPJVJOKRDJ-UHFFFAOYSA-N
Molecular Formula C10H2O6
3

3,4,5,6-Tetrahydrophthalic anhydride, 98%

CAS: 2426-02-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005917 InChI Key: HMMBJOWWRLZEMI-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione PubChem CID: 12475 SMILES: O=C1OC(=O)C2=C1CCCC2

PubChem CID 12475
CAS 2426-02-0
Molecular Weight (g/mol) 152.15
MDL Number MFCD00005917
SMILES O=C1OC(=O)C2=C1CCCC2
Synonym 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione
InChI Key HMMBJOWWRLZEMI-UHFFFAOYSA-N
Molecular Formula C8H8O3
4

Thermo Scientific Chemicals 4',5'-Dibromofluorescein, ca. 95% dye content

CAS: 596-03-2 Molecular Formula: C20H10Br2O5 Molecular Weight (g/mol): 490.103 MDL Number: MFCD00005042 InChI Key: ZDTNHRWWURISAA-UHFFFAOYSA-N Synonym: 4',5'-dibromofluorescein,solvent red 72,eosinic acid,japan orange 201,FD&C orange no. 5,c.i. solvent red 72,4',5'-dibromofluororescein,4,5-dibromofluorescein,d & c orange no. 5,japan orange no. 201 PubChem CID: 11689 IUPAC Name: 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O

PubChem CID 11689
CAS 596-03-2
Molecular Weight (g/mol) 490.103
MDL Number MFCD00005042
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
Synonym 4',5'-dibromofluorescein,solvent red 72,eosinic acid,japan orange 201,FD&C orange no. 5,c.i. solvent red 72,4',5'-dibromofluororescein,4,5-dibromofluorescein,d & c orange no. 5,japan orange no. 201
IUPAC Name 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key ZDTNHRWWURISAA-UHFFFAOYSA-N
Molecular Formula C20H10Br2O5
5

2',7'-Dichlorofluorescein

CAS: 76-54-0 Molecular Formula: C20H10Cl2O5 Molecular Weight (g/mol): 401.195 MDL Number: MFCD00005047 InChI Key: VFNKZQNIXUFLBC-UHFFFAOYSA-N Synonym: 2',7'-dichlorofluorescein,dichlorofluorescein,unii-56nqm5uzt1,2,7-dichlorofluorescein,56nqm5uzt1,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 2',7'-dichloro-3',6'-dihydroxy,2',7'-dichloro-3',6'-dihydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,2',7'-dichloro-3',6'-dihydroxyspiro 2-benzofuran-3,9'-xanthene-1-one,11,16-dichloro-12,15-dihydroxyspiro 3-hydroisobenzofuran-3,9'-xanthene-1-one PubChem CID: 64944 ChEBI: CHEBI:51596 IUPAC Name: 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl

PubChem CID 64944
CAS 76-54-0
Molecular Weight (g/mol) 401.195
ChEBI CHEBI:51596
MDL Number MFCD00005047
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
Synonym 2',7'-dichlorofluorescein,dichlorofluorescein,unii-56nqm5uzt1,2,7-dichlorofluorescein,56nqm5uzt1,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 2',7'-dichloro-3',6'-dihydroxy,2',7'-dichloro-3',6'-dihydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,2',7'-dichloro-3',6'-dihydroxyspiro 2-benzofuran-3,9'-xanthene-1-one,11,16-dichloro-12,15-dihydroxyspiro 3-hydroisobenzofuran-3,9'-xanthene-1-one
IUPAC Name 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key VFNKZQNIXUFLBC-UHFFFAOYSA-N
Molecular Formula C20H10Cl2O5
6

1-Cyclohexene-1,2-dicarboxylic anhydride, 97+%

CAS: 2426-02-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00005917 InChI Key: HMMBJOWWRLZEMI-UHFFFAOYSA-N Synonym: 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione PubChem CID: 12475 IUPAC Name: 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=C1CCCC2

PubChem CID 12475
CAS 2426-02-0
Molecular Weight (g/mol) 152.15
MDL Number MFCD00005917
SMILES O=C1OC(=O)C2=C1CCCC2
Synonym 3,4,5,6-tetrahydrophthalic anhydride,4,5,6,7-tetrahydroisobenzofuran-1,3-dione,1-cyclohexene-1,2-dicarboxylic anhydride,1,3-isobenzofurandione, 4,5,6,7-tetrahydro,unii-01d3m89a2w,cyclohexene-1,2-dicarboxylic anhydride,3,4,5,6-tetrahydrophthalic acid anhydride,1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione,1, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-1,3-isobenzofurandione
IUPAC Name 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
InChI Key HMMBJOWWRLZEMI-UHFFFAOYSA-N
Molecular Formula C8H8O3
7
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Hexahydro-4-methylphthalic anhydride, 98%, mixture of cis and trans

CAS: 19438-60-9 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00005927 InChI Key: FKBMTBAXDISZGN-UHFFFAOYSA-N Synonym: hexahydro-4-methylphthalic anhydride,4-methylhexahydrophthalic anhydride,5-methylhexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride,1,3-isobenzofurandione, hexahydro-5-methyl,1,3-isobenzofurandione, hexahydromethyl,4-methylcyclohexane-1,2-dicarboxylic anhydride,5-methylhexahydrophthalic anhydride,5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride, mixture of isomers PubChem CID: 86876 IUPAC Name: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: CC1CCC2C(C1)C(=O)OC2=O

PubChem CID 86876
CAS 19438-60-9
Molecular Weight (g/mol) 168.19
MDL Number MFCD00005927
SMILES CC1CCC2C(C1)C(=O)OC2=O
Synonym hexahydro-4-methylphthalic anhydride,4-methylhexahydrophthalic anhydride,5-methylhexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride,1,3-isobenzofurandione, hexahydro-5-methyl,1,3-isobenzofurandione, hexahydromethyl,4-methylcyclohexane-1,2-dicarboxylic anhydride,5-methylhexahydrophthalic anhydride,5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride, mixture of isomers
IUPAC Name 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI Key FKBMTBAXDISZGN-UHFFFAOYSA-N
Molecular Formula C9H12O3