Benzene and substituted derivatives
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2-Iodo-1,3,5-trimethylbenzene, 98%
CAS: 4028-63-1 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.091 MDL Number: MFCD00013707 InChI Key: GTPNXFKONRIHRW-UHFFFAOYSA-N Synonym: 2,4,6-trimethyliodobenzene,2-iodomesitylene,mesityl iodide,benzene, 2-iodo-1,3,5-trimethyl,iodo-2,4,6-trimethylbenzene,2,4,6-trimethyliodobenzene 2-iodomesitylene,iodomesitylene,jodmesitylen,mesityliodine,pubchem12601 PubChem CID: 77647 IUPAC Name: 2-iodo-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)I)C
| PubChem CID | 77647 |
|---|---|
| CAS | 4028-63-1 |
| Molecular Weight (g/mol) | 246.091 |
| MDL Number | MFCD00013707 |
| SMILES | CC1=CC(=C(C(=C1)C)I)C |
| Synonym | 2,4,6-trimethyliodobenzene,2-iodomesitylene,mesityl iodide,benzene, 2-iodo-1,3,5-trimethyl,iodo-2,4,6-trimethylbenzene,2,4,6-trimethyliodobenzene 2-iodomesitylene,iodomesitylene,jodmesitylen,mesityliodine,pubchem12601 |
| IUPAC Name | 2-iodo-1,3,5-trimethylbenzene |
| InChI Key | GTPNXFKONRIHRW-UHFFFAOYSA-N |
| Molecular Formula | C9H11I |
1-Chloro-2-iodobenzene, 99%
CAS: 615-41-8 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001033 InChI Key: MPEOPBCQHNWNFB-UHFFFAOYSA-N Synonym: 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene PubChem CID: 11993 IUPAC Name: 1-chloro-2-iodobenzene SMILES: ClC1=CC=CC=C1I
| PubChem CID | 11993 |
|---|---|
| CAS | 615-41-8 |
| Molecular Weight (g/mol) | 238.45 |
| MDL Number | MFCD00001033 |
| SMILES | ClC1=CC=CC=C1I |
| Synonym | 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene |
| IUPAC Name | 1-chloro-2-iodobenzene |
| InChI Key | MPEOPBCQHNWNFB-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClI |
2,4-Difluoro-1-iodobenzene, 99%
CAS: 2265-93-2 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD00040151 InChI Key: YKLDMAPEGQYZRT-UHFFFAOYSA-N Synonym: 2,4-difluoroiodobenzene,1,3-difluoro-4-iodobenzene,2,4-difluoro-1-iodobenze,benzene, 2,4-difluoro-1-iodo,2,4-difluoro iodobenzene,2,4-difluoro-1-iodo-benzene,pubchem3463,2,4-difluoro-iodobenzene,acmc-1cq0v,intermediates-zcf02607 PubChem CID: 137519 IUPAC Name: 2,4-difluoro-1-iodobenzene SMILES: FC1=CC=C(I)C(F)=C1
| PubChem CID | 137519 |
|---|---|
| CAS | 2265-93-2 |
| Molecular Weight (g/mol) | 239.99 |
| MDL Number | MFCD00040151 |
| SMILES | FC1=CC=C(I)C(F)=C1 |
| Synonym | 2,4-difluoroiodobenzene,1,3-difluoro-4-iodobenzene,2,4-difluoro-1-iodobenze,benzene, 2,4-difluoro-1-iodo,2,4-difluoro iodobenzene,2,4-difluoro-1-iodo-benzene,pubchem3463,2,4-difluoro-iodobenzene,acmc-1cq0v,intermediates-zcf02607 |
| IUPAC Name | 2,4-difluoro-1-iodobenzene |
| InChI Key | YKLDMAPEGQYZRT-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2I |
4-Fluoro-2-iodoaniline, 96%
CAS: 61272-76-2 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.02 MDL Number: MFCD00042584 InChI Key: SETOTRGVPANENO-UHFFFAOYSA-N Synonym: 2-iodo-4-fluoroaniline,4-fluoro-2-indoaniline,4-fluoro-2-iodoanline,4-fluoro-2-iodo-aniline,4-fluoro-2-iodophenylamine,4-fluoro-2-iodo-phenylamine,benzenamine, 4-fluoro-2-iodo,zlchem 368,pubchem3413,2-iodo-4-fluoro-aniline PubChem CID: 2778283 IUPAC Name: 4-fluoro-2-iodoaniline SMILES: NC1=C(I)C=C(F)C=C1
| PubChem CID | 2778283 |
|---|---|
| CAS | 61272-76-2 |
| Molecular Weight (g/mol) | 237.02 |
| MDL Number | MFCD00042584 |
| SMILES | NC1=C(I)C=C(F)C=C1 |
| Synonym | 2-iodo-4-fluoroaniline,4-fluoro-2-indoaniline,4-fluoro-2-iodoanline,4-fluoro-2-iodo-aniline,4-fluoro-2-iodophenylamine,4-fluoro-2-iodo-phenylamine,benzenamine, 4-fluoro-2-iodo,zlchem 368,pubchem3413,2-iodo-4-fluoro-aniline |
| IUPAC Name | 4-fluoro-2-iodoaniline |
| InChI Key | SETOTRGVPANENO-UHFFFAOYSA-N |
| Molecular Formula | C6H5FIN |
4-Amino-3-iodobenzonitrile, 97%
CAS: 33348-34-4 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.035 MDL Number: MFCD04039964 InChI Key: UOWVTQFTEAYDLM-UHFFFAOYSA-N Synonym: 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile PubChem CID: 4416395 IUPAC Name: 4-amino-3-iodobenzonitrile SMILES: C1=CC(=C(C=C1C#N)I)N
| PubChem CID | 4416395 |
|---|---|
| CAS | 33348-34-4 |
| Molecular Weight (g/mol) | 244.035 |
| MDL Number | MFCD04039964 |
| SMILES | C1=CC(=C(C=C1C#N)I)N |
| Synonym | 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile |
| IUPAC Name | 4-amino-3-iodobenzonitrile |
| InChI Key | UOWVTQFTEAYDLM-UHFFFAOYSA-N |
| Molecular Formula | C7H5IN2 |
n-Butyl benzoate, 98%
CAS: 136-60-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00009439 InChI Key: XSIFPSYPOVKYCO-UHFFFAOYSA-N Synonym: n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech PubChem CID: 8698 IUPAC Name: butyl benzoate SMILES: CCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 8698 |
|---|---|
| CAS | 136-60-7 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00009439 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1 |
| Synonym | n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech |
| IUPAC Name | butyl benzoate |
| InChI Key | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Bromo-2-chloro-1-iodobenzene, 97%
CAS: 31928-47-9 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.348 MDL Number: MFCD00079709 InChI Key: OHHKQBZOURGNLR-UHFFFAOYSA-N Synonym: 4-bromo-2-chloroiodobenzene,1-bromo-3-chloro-4-iodobenzene,benzene, 4-bromo-2-chloro-1-iodo,buttpark 34\07-78,4-bromo-2-chloro-1-iodo-benzene,pubchem3592,acmc-1cp6y,3-chloro-4-iodobromobenzene,ksc493m0p,4-bromo-2-chloro-iodobenzene PubChem CID: 2735547 IUPAC Name: 4-bromo-2-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Br)Cl)I
| PubChem CID | 2735547 |
|---|---|
| CAS | 31928-47-9 |
| Molecular Weight (g/mol) | 317.348 |
| MDL Number | MFCD00079709 |
| SMILES | C1=CC(=C(C=C1Br)Cl)I |
| Synonym | 4-bromo-2-chloroiodobenzene,1-bromo-3-chloro-4-iodobenzene,benzene, 4-bromo-2-chloro-1-iodo,buttpark 34\07-78,4-bromo-2-chloro-1-iodo-benzene,pubchem3592,acmc-1cp6y,3-chloro-4-iodobromobenzene,ksc493m0p,4-bromo-2-chloro-iodobenzene |
| IUPAC Name | 4-bromo-2-chloro-1-iodobenzene |
| InChI Key | OHHKQBZOURGNLR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClI |
1,3-Difluoro-5-iodobenzene, 98%
CAS: 2265-91-0 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD03094155 InChI Key: QQCFOQNFPIAENW-UHFFFAOYSA-N Synonym: 3,5-difluoroiodobenzene,benzene, 1,3-difluoro-5-iodo,1,3-difluoro-5-iodo-benzene,3,5-difluoro iodobenzene,pubchem17134,3,5-difluoro-iodobenzene,3-difluoro-5-iodobenzene PubChem CID: 2778221 IUPAC Name: 1,3-difluoro-5-iodobenzene SMILES: FC1=CC(I)=CC(F)=C1
| PubChem CID | 2778221 |
|---|---|
| CAS | 2265-91-0 |
| Molecular Weight (g/mol) | 239.99 |
| MDL Number | MFCD03094155 |
| SMILES | FC1=CC(I)=CC(F)=C1 |
| Synonym | 3,5-difluoroiodobenzene,benzene, 1,3-difluoro-5-iodo,1,3-difluoro-5-iodo-benzene,3,5-difluoro iodobenzene,pubchem17134,3,5-difluoro-iodobenzene,3-difluoro-5-iodobenzene |
| IUPAC Name | 1,3-difluoro-5-iodobenzene |
| InChI Key | QQCFOQNFPIAENW-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2I |
1,3-Diiodobenzene, 98%
CAS: 626-00-6 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.9 MDL Number: MFCD00041731 InChI Key: SFPQFQUXAJOWNF-UHFFFAOYSA-N Synonym: m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo PubChem CID: 12270 IUPAC Name: 1,3-diiodobenzene SMILES: C1=CC(=CC(=C1)I)I
| PubChem CID | 12270 |
|---|---|
| CAS | 626-00-6 |
| Molecular Weight (g/mol) | 329.9 |
| MDL Number | MFCD00041731 |
| SMILES | C1=CC(=CC(=C1)I)I |
| Synonym | m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo |
| IUPAC Name | 1,3-diiodobenzene |
| InChI Key | SFPQFQUXAJOWNF-UHFFFAOYSA-N |
| Molecular Formula | C6H4I2 |
2-Fluorobenzaldehyde, 97%
CAS: 446-52-6 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003302 InChI Key: ZWDVQMVZZYIAHO-UHFFFAOYSA-N Synonym: o-fluorobenzaldehyde,benzaldehyde, 2-fluoro,benzaldehyde, o-fluoro,unii-7zx20dxb9z,2-fluor-benzaldehyd,2-fluoro-benzaldehyde,benzaldehyde, fluoro,ortho-fluorobenzaldehyde,7zx20dxb9z,fluorobenzaldehyde PubChem CID: 67970 IUPAC Name: 2-fluorobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)F
| PubChem CID | 67970 |
|---|---|
| CAS | 446-52-6 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003302 |
| SMILES | C1=CC=C(C(=C1)C=O)F |
| Synonym | o-fluorobenzaldehyde,benzaldehyde, 2-fluoro,benzaldehyde, o-fluoro,unii-7zx20dxb9z,2-fluor-benzaldehyd,2-fluoro-benzaldehyde,benzaldehyde, fluoro,ortho-fluorobenzaldehyde,7zx20dxb9z,fluorobenzaldehyde |
| IUPAC Name | 2-fluorobenzaldehyde |
| InChI Key | ZWDVQMVZZYIAHO-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
Di-n-pentyl phthalate, 98%
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.402 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N Synonym: dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester PubChem CID: 8561 ChEBI: CHEBI:34680 IUPAC Name: dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
| PubChem CID | 8561 |
|---|---|
| CAS | 131-18-0 |
| Molecular Weight (g/mol) | 306.402 |
| ChEBI | CHEBI:34680 |
| MDL Number | MFCD00041934 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC |
| Synonym | dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester |
| IUPAC Name | dipentyl benzene-1,2-dicarboxylate |
| InChI Key | IPKKHRVROFYTEK-UHFFFAOYSA-N |
| Molecular Formula | C18H26O4 |
2-Chloro-6-methylbenzaldehyde, 98%
CAS: 1194-64-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.593 MDL Number: MFCD01934409 InChI Key: CCYFXIJPJFSTSU-UHFFFAOYSA-N PubChem CID: 12467050 IUPAC Name: 2-chloro-6-methylbenzaldehyde SMILES: CC1=C(C(=CC=C1)Cl)C=O
| PubChem CID | 12467050 |
|---|---|
| CAS | 1194-64-5 |
| Molecular Weight (g/mol) | 154.593 |
| MDL Number | MFCD01934409 |
| SMILES | CC1=C(C(=CC=C1)Cl)C=O |
| IUPAC Name | 2-chloro-6-methylbenzaldehyde |
| InChI Key | CCYFXIJPJFSTSU-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
2-Bromo-3-fluorobenzaldehyde, 98%
CAS: 891180-59-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD07782044 InChI Key: CYJBMGYWRHGZBR-UHFFFAOYSA-N Synonym: 2-bromo-3-fluoro-benzaldehyde,benzaldehyde, 2-bromo-3-fluoro,pubchem1417,pubchem22500,acmc-1bwut,ksc494e8j,6-fluoro-2-formylbromobenzene PubChem CID: 24820504 IUPAC Name: 2-bromo-3-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)Br)C=O
| PubChem CID | 24820504 |
|---|---|
| CAS | 891180-59-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD07782044 |
| SMILES | C1=CC(=C(C(=C1)F)Br)C=O |
| Synonym | 2-bromo-3-fluoro-benzaldehyde,benzaldehyde, 2-bromo-3-fluoro,pubchem1417,pubchem22500,acmc-1bwut,ksc494e8j,6-fluoro-2-formylbromobenzene |
| IUPAC Name | 2-bromo-3-fluorobenzaldehyde |
| InChI Key | CYJBMGYWRHGZBR-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Homophthalic acid, 99%
CAS: 89-51-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004326 InChI Key: ZHQLTKAVLJKSKR-UHFFFAOYSA-N Synonym: homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid PubChem CID: 66643 IUPAC Name: 2-(carboxymethyl)benzoic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O
| PubChem CID | 66643 |
|---|---|
| CAS | 89-51-0 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00004326 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)C(=O)O |
| Synonym | homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid |
| IUPAC Name | 2-(carboxymethyl)benzoic acid |
| InChI Key | ZHQLTKAVLJKSKR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
2-Iodobenzaldehyde, 98%
CAS: 26260-02-6 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039570 InChI Key: WWKKTHALZAYYAI-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l PubChem CID: 643439 IUPAC Name: 2-iodobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)I
| PubChem CID | 643439 |
|---|---|
| CAS | 26260-02-6 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039570 |
| SMILES | C1=CC=C(C(=C1)C=O)I |
| Synonym | benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l |
| IUPAC Name | 2-iodobenzaldehyde |
| InChI Key | WWKKTHALZAYYAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |