Benzene and substituted derivatives
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[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™
CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
| PubChem CID | 626316 |
|---|---|
| CAS | 14353-88-9 |
| Molecular Weight (g/mol) | 519.99 |
| MDL Number | MFCD00191612 |
| SMILES | FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F |
| Synonym | Pentafluoro[bis(trifluoroacetoxy)iodo]benzene |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate |
| InChI Key | OQWAXRPJEPTTSZ-UHFFFAOYSA-N |
| Molecular Formula | C10F11IO4 |
3-(3-Methoxyphenoxy)propionic Acid 97.0+%, TCI America™
CAS: 49855-03-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 InChI Key: JKTUZDBNDYMNLO-UHFFFAOYSA-N PubChem CID: 5201573 IUPAC Name: 3-(3-methoxyphenoxy)propanoic acid SMILES: COC1=CC(=CC=C1)OCCC(=O)O
| PubChem CID | 5201573 |
|---|---|
| CAS | 49855-03-0 |
| Molecular Weight (g/mol) | 196.202 |
| SMILES | COC1=CC(=CC=C1)OCCC(=O)O |
| IUPAC Name | 3-(3-methoxyphenoxy)propanoic acid |
| InChI Key | JKTUZDBNDYMNLO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
4-Bromo-3-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 133059-43-5 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD03095000 InChI Key: SWHUROFMIMHWKS-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzaldehyde,3-fluoro-4-bromo benzaldehyde,4-bromo-3-fluoro-benzaldehyde,benzaldehyde, 4-bromo-3-fluoro,4-bromo-3-fluoro benzaldehyde,pubchem4033,acmc-209bqp,intermediates-zcf02027,ksc174m4l,3-fluoro-4-bromo-benzaldehyde PubChem CID: 2783411 IUPAC Name: 4-bromo-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Br
| PubChem CID | 2783411 |
|---|---|
| CAS | 133059-43-5 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD03095000 |
| SMILES | C1=CC(=C(C=C1C=O)F)Br |
| Synonym | 3-fluoro-4-bromobenzaldehyde,3-fluoro-4-bromo benzaldehyde,4-bromo-3-fluoro-benzaldehyde,benzaldehyde, 4-bromo-3-fluoro,4-bromo-3-fluoro benzaldehyde,pubchem4033,acmc-209bqp,intermediates-zcf02027,ksc174m4l,3-fluoro-4-bromo-benzaldehyde |
| IUPAC Name | 4-bromo-3-fluorobenzaldehyde |
| InChI Key | SWHUROFMIMHWKS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
5-Bromo-2-fluorobenzaldehyde 95.0+%, TCI America™
CAS: 93777-26-5 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00070755 InChI Key: MMFGGDVQLQQQRX-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromobenzaldehyde,5-bromo-2-fluoro-benzaldehyde,2-fluoro-5-bromo benzaldehyde,5-bromo-2-fluoro benzaldehyde,benzaldehyde, 5-bromo-2-fluoro,5-brom-2-fluorbenzaldehyd,pubchem2879,acmc-209rnk,3-bromo-6-fluorobenzaldehyde,ksc494e9t PubChem CID: 736327 IUPAC Name: 5-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)F
| PubChem CID | 736327 |
|---|---|
| CAS | 93777-26-5 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00070755 |
| SMILES | C1=CC(=C(C=C1Br)C=O)F |
| Synonym | 2-fluoro-5-bromobenzaldehyde,5-bromo-2-fluoro-benzaldehyde,2-fluoro-5-bromo benzaldehyde,5-bromo-2-fluoro benzaldehyde,benzaldehyde, 5-bromo-2-fluoro,5-brom-2-fluorbenzaldehyd,pubchem2879,acmc-209rnk,3-bromo-6-fluorobenzaldehyde,ksc494e9t |
| IUPAC Name | 5-bromo-2-fluorobenzaldehyde |
| InChI Key | MMFGGDVQLQQQRX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Dinonyl Phthalate (mixture of isomers) 95.0+%, TCI America™
CAS: 84-76-4 Molecular Formula: C26H42O4 Molecular Weight (g/mol): 418.62 MDL Number: MFCD00036237 InChI Key: DROMNWUQASBTFM-UHFFFAOYSA-N Synonym: dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 PubChem CID: 6787 IUPAC Name: 1,2-dinonyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
| PubChem CID | 6787 |
|---|---|
| CAS | 84-76-4 |
| Molecular Weight (g/mol) | 418.62 |
| MDL Number | MFCD00036237 |
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC |
| Synonym | dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 |
| IUPAC Name | 1,2-dinonyl benzene-1,2-dicarboxylate |
| InChI Key | DROMNWUQASBTFM-UHFFFAOYSA-N |
| Molecular Formula | C26H42O4 |
| PubChem CID | 2778654 |
|---|---|
| CAS | 248270-25-9 |
| Molecular Weight (g/mol) | 167.93 |
| MDL Number | MFCD02093051 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=C(C=C1)C=O)F)(O)O |
| TSCA | No |
| IUPAC Name | (3-fluoro-4-formylphenyl)boronic acid |
| InChI Key | NZNRMUVHUVCIBR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO3 |
| Formula Weight | 167.93 |
| Melting Point | 240°C |
4-n-Octylbenzoic Acid 97.0+%, TCI America™
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 19147 |
|---|---|
| CAS | 3575-31-3 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00042649 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 |
| IUPAC Name | 4-octylbenzoic acid |
| InChI Key | ZQLDNJKHLQOJGE-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
3-Cyanobenzoic Acid 98.0+%, TCI America™
CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N
| PubChem CID | 15875 |
|---|---|
| CAS | 1877-72-1 |
| Molecular Weight (g/mol) | 147.133 |
| MDL Number | MFCD00002486 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C#N |
| Synonym | m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid |
| IUPAC Name | 3-cyanobenzoic acid |
| InChI Key | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
2-Fluoro-5-formylbenzonitrile 98.0+%, TCI America™
CAS: 218301-22-5 Molecular Formula: C8H4FNO Molecular Weight (g/mol): 149.124 MDL Number: MFCD01863558 InChI Key: MOFRJTLODZILCR-UHFFFAOYSA-N Synonym: 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile PubChem CID: 2769582 IUPAC Name: 2-fluoro-5-formylbenzonitrile SMILES: C1=CC(=C(C=C1C=O)C#N)F
| PubChem CID | 2769582 |
|---|---|
| CAS | 218301-22-5 |
| Molecular Weight (g/mol) | 149.124 |
| MDL Number | MFCD01863558 |
| SMILES | C1=CC(=C(C=C1C=O)C#N)F |
| Synonym | 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile |
| IUPAC Name | 2-fluoro-5-formylbenzonitrile |
| InChI Key | MOFRJTLODZILCR-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO |
4-(trans-4-Propylcyclohexyl)benzoic Acid 98.0+%, TCI America™
CAS: 65355-29-5 Molecular Formula: C16H22O2 Molecular Weight (g/mol): 246.35 MDL Number: MFCD06658177 InChI Key: VACLULPMEXHBMD-UHFFFAOYSA-N Synonym: 4-trans-4-n-propylcyclohexyl benzoic acid,4-trans-4-propylcyclohexyl benzoic acid,4-4-propylcyclohexyl benzoic acid,trans-4-4-n-propylcyclohexyl benzoic acid,4-propyl cyclohexyl benzoic acid,benzoic acid, 4-4-propylcyclohexyl,4-trans-4-n-propylcyclohexyl benzoicacid,4-1s,4r-4-propylcyclohexyl benzoic acid,acmc-20lbd4 PubChem CID: 4552940 IUPAC Name: 4-(4-propylcyclohexyl)benzoic acid SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 4552940 |
|---|---|
| CAS | 65355-29-5 |
| Molecular Weight (g/mol) | 246.35 |
| MDL Number | MFCD06658177 |
| SMILES | CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-trans-4-n-propylcyclohexyl benzoic acid,4-trans-4-propylcyclohexyl benzoic acid,4-4-propylcyclohexyl benzoic acid,trans-4-4-n-propylcyclohexyl benzoic acid,4-propyl cyclohexyl benzoic acid,benzoic acid, 4-4-propylcyclohexyl,4-trans-4-n-propylcyclohexyl benzoicacid,4-1s,4r-4-propylcyclohexyl benzoic acid,acmc-20lbd4 |
| IUPAC Name | 4-(4-propylcyclohexyl)benzoic acid |
| InChI Key | VACLULPMEXHBMD-UHFFFAOYSA-N |
| Molecular Formula | C16H22O2 |
Ethyl 4-Cyanobenzoate 98.0+%, TCI America™
CAS: 7153-22-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00001824 InChI Key: JLSSWDFCYXSLQX-UHFFFAOYSA-N Synonym: benzoic acid, 4-cyano-, ethyl ester,4-cyanobenzoic acid ethyl ester,benzoic acid, 4-cyano-,ethyl ester,4-cyano-benzoic acid ethyl ester,ethyl p-cyanobenzoate,ethyl-4-cyanobenzoate,p-cyano ethyl benzoate,acmc-209ypo,ethyl 4-cyanobenzoate,4-cyanobenzoic acid, ethyl ester PubChem CID: 81589 IUPAC Name: ethyl 4-cyanobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 81589 |
|---|---|
| CAS | 7153-22-2 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00001824 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C#N |
| Synonym | benzoic acid, 4-cyano-, ethyl ester,4-cyanobenzoic acid ethyl ester,benzoic acid, 4-cyano-,ethyl ester,4-cyano-benzoic acid ethyl ester,ethyl p-cyanobenzoate,ethyl-4-cyanobenzoate,p-cyano ethyl benzoate,acmc-209ypo,ethyl 4-cyanobenzoate,4-cyanobenzoic acid, ethyl ester |
| IUPAC Name | ethyl 4-cyanobenzoate |
| InChI Key | JLSSWDFCYXSLQX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
4-Methylphthalic Acid 98.0+%, TCI America™
CAS: 4316-23-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00041946 InChI Key: CWJJAFQCTXFSTA-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-methyl,phthalic acid, 4-methyl,4-methyl phthalic acid,4-methyl-phthalic acid,4-methylbenzene-1,2-dicarboxylic acid,4-methyl-1,2-benzenedicarboxylic acid,4-methyl-o-phthalate,4-methylphthalicacid,acmc-1amca,4-methylphthalic acid PubChem CID: 20310 IUPAC Name: 4-methylphthalic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)C(=O)O
| PubChem CID | 20310 |
|---|---|
| CAS | 4316-23-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00041946 |
| SMILES | CC1=CC(=C(C=C1)C(=O)O)C(=O)O |
| Synonym | 1,2-benzenedicarboxylic acid, 4-methyl,phthalic acid, 4-methyl,4-methyl phthalic acid,4-methyl-phthalic acid,4-methylbenzene-1,2-dicarboxylic acid,4-methyl-1,2-benzenedicarboxylic acid,4-methyl-o-phthalate,4-methylphthalicacid,acmc-1amca,4-methylphthalic acid |
| IUPAC Name | 4-methylphthalic acid |
| InChI Key | CWJJAFQCTXFSTA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
4-Chloro-3-fluorobenzaldehyde 97.0+%, TCI America™
CAS: 5527-95-7 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143288 InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa PubChem CID: 2724985 IUPAC Name: 4-chloro-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Cl
| PubChem CID | 2724985 |
|---|---|
| CAS | 5527-95-7 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143288 |
| SMILES | C1=CC(=C(C=C1C=O)F)Cl |
| Synonym | 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa |
| IUPAC Name | 4-chloro-3-fluorobenzaldehyde |
| InChI Key | AZMDWRPTDCIFRD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
| Molecular Weight (g/mol) | 179.966 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C(=CC=C1)C=O)OC)(O)O |
| InChI Key | DUROSIJIMLRFHR-UHFFFAOYSA-N |
| PubChem CID | 16218167 |
| CAS | 480424-49-5 |
| MDL Number | MFCD08689486 |
| TSCA | No |
| Recommended Storage | Refrigerator |
| IUPAC Name | (3-formyl-2-methoxyphenyl)boronic acid |
| Molecular Formula | C8H9BO4 |
| Formula Weight | 179.97 |
| Melting Point | 128°C |
1-(4-Carboxyphenyl)-5-mercapto-1H-tetrazole 95.0+%, TCI America™
CAS: 23249-95-8 Molecular Formula: C8H6N4O2S Molecular Weight (g/mol): 222.22 MDL Number: MFCD01074835 InChI Key: GDVFHEXRJFFDDB-UHFFFAOYSA-N Synonym: 1-(4-Carboxyphenyl)-1H-tetrazole-5-thiol, 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic Acid PubChem CID: 13651022 IUPAC Name: 4-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)N1NN=NC1=S
| PubChem CID | 13651022 |
|---|---|
| CAS | 23249-95-8 |
| Molecular Weight (g/mol) | 222.22 |
| MDL Number | MFCD01074835 |
| SMILES | OC(=O)C1=CC=C(C=C1)N1NN=NC1=S |
| Synonym | 1-(4-Carboxyphenyl)-1H-tetrazole-5-thiol, 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic Acid |
| IUPAC Name | 4-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzoic acid |
| InChI Key | GDVFHEXRJFFDDB-UHFFFAOYSA-N |
| Molecular Formula | C8H6N4O2S |