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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 Rose Bengal

CAS: 632-69-9 Molecular Formula: C20H4Cl4I4Na2O5 Molecular Weight (g/mol): 1019.644 MDL Number: MFCD00151169 InChI Key: DPBQSRZQYAYDGY-UHFFFAOYSA-N Synonym: rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin PubChem CID: 87244310 IUPAC Name: sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]

PubChem CID 87244310
CAS 632-69-9
Molecular Weight (g/mol) 1019.644
MDL Number MFCD00151169
SMILES C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]
Synonym rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin
IUPAC Name sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key DPBQSRZQYAYDGY-UHFFFAOYSA-N
Molecular Formula C20H4Cl4I4Na2O5
2

Thermo Scientific Chemicals Fluorescein

CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N Synonym: fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7 PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

PubChem CID 16850
CAS 2321-07-5
Molecular Weight (g/mol) 332.31
ChEBI CHEBI:31624
MDL Number MFCD00005050
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Synonym fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7
IUPAC Name 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key GNBHRKFJIUUOQI-UHFFFAOYSA-N
Molecular Formula C20H12O5
3

1,2-Cyclohexanedicarboxylic anhydride, cis + trans, 97%

CAS: 85-42-7 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064863,MFCD00674195 InChI Key: MUTGBJKUEZFXGO-UHFFFAOYNA-N Synonym: hexahydrophthalic anhydride,hexahydroisobenzofuran-1,3-dione,hhpa,1,2-cyclohexanedicarboxylic anhydride,lekutherm hardener h,hexahydrophthalic acid anhydride,1,3-isobenzofurandione, hexahydro,araldite ht 907,cyclohexane-1,2-dicarboxylic anhydride,1,2-cyclohexanedicarboxylic acid anhydride PubChem CID: 85689 ChEBI: CHEBI:103210 IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2CCCCC12

PubChem CID 85689
CAS 85-42-7
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:103210
MDL Number MFCD00064863,MFCD00674195
SMILES O=C1OC(=O)C2CCCCC12
Synonym hexahydrophthalic anhydride,hexahydroisobenzofuran-1,3-dione,hhpa,1,2-cyclohexanedicarboxylic anhydride,lekutherm hardener h,hexahydrophthalic acid anhydride,1,3-isobenzofurandione, hexahydro,araldite ht 907,cyclohexane-1,2-dicarboxylic anhydride,1,2-cyclohexanedicarboxylic acid anhydride
IUPAC Name 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI Key MUTGBJKUEZFXGO-UHFFFAOYNA-N
Molecular Formula C8H10O3
4

4-Methylcyclohexane-1,2-dicarboxylic Anhydride 98.0+%, TCI America™

CAS: 19438-60-9 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 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) 168.192
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
5

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
6

Pyromellitic dianhydride, 97%

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 IUPAC Name: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone 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
IUPAC Name furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
InChI Key ANSXAPJVJOKRDJ-UHFFFAOYSA-N
Molecular Formula C10H2O6
7

1,2,4,5-Benzenetetracarboxylic anhydride, 99%

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 IUPAC Name: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone 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
IUPAC Name furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
InChI Key ANSXAPJVJOKRDJ-UHFFFAOYSA-N
Molecular Formula C10H2O6
8

cis-1,2-Cyclohexanedicarboxylic Anhydride 99.0+%, TCI America™

CAS: 13149-00-3 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD00005926 InChI Key: MUTGBJKUEZFXGO-OLQVQODUSA-N Synonym: cis-hexahydroisobenzofuran-1,3-dione,cis-1,2-cyclohexanedicarboxylic anhydride,cis-hexahydrophthalic anhydride,unii-b52z7tnv87,cis-cyclohexane-1,2-dicarboxylic anhydride,hexahydrophthalic anhydride, cis,3ar,7as-hexahydro-2-benzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, 3ar,7as-rel,3ar,7as-hexahydroisobenzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, cis PubChem CID: 641660 IUPAC Name: (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: C1CCC2C(C1)C(=O)OC2=O

PubChem CID 641660
CAS 13149-00-3
Molecular Weight (g/mol) 154.165
MDL Number MFCD00005926
SMILES C1CCC2C(C1)C(=O)OC2=O
Synonym cis-hexahydroisobenzofuran-1,3-dione,cis-1,2-cyclohexanedicarboxylic anhydride,cis-hexahydrophthalic anhydride,unii-b52z7tnv87,cis-cyclohexane-1,2-dicarboxylic anhydride,hexahydrophthalic anhydride, cis,3ar,7as-hexahydro-2-benzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, 3ar,7as-rel,3ar,7as-hexahydroisobenzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, cis
IUPAC Name (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI Key MUTGBJKUEZFXGO-OLQVQODUSA-N
Molecular Formula C8H10O3
9

Pyromellitic Dianhydride 98.0+%, TCI America™

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 IUPAC Name: 5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone 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
IUPAC Name 5,11-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8-triene-4,6,10,12-tetrone
InChI Key ANSXAPJVJOKRDJ-UHFFFAOYSA-N
Molecular Formula C10H2O6
10

cis-4-Cyclohexene-1,2-dicarboxylic Anhydride 98.0+%, TCI America™

CAS: 935-79-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005916 InChI Key: KMOUUZVZFBCRAM-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione PubChem CID: 98495 IUPAC Name: (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione SMILES: C1C=CCC2C1C(=O)OC2=O

PubChem CID 98495
CAS 935-79-5
Molecular Weight (g/mol) 152.149
MDL Number MFCD00005916
SMILES C1C=CCC2C1C(=O)OC2=O
Synonym cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
IUPAC Name (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
InChI Key KMOUUZVZFBCRAM-OLQVQODUSA-N
Molecular Formula C8H8O3
11

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
12

Sigma Aldrich Pyromellitic dianhydride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
Boiling Point 397°C to 400°C
Percent Purity 97%
Linear Formula C10H2O6
CAS 89-32-7
Molecular Weight (g/mol) 218.12
MDL Number MFCD00005005
Synonym Benzene-1,2,4,5-tetracarboxylic dianhydride; PMDA
RTECS Number DB9300000
Recommended Storage Room Temperature
Molecular Formula C10H2O6
EINECS Number 201-898-9
Melting Point 283°C to 286°C