Benzenoids
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4-Fluoro-2-nitrophenol 98.0+%, TCI America™
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CAS: 394-33-2 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD00042528 InChI Key: ZHRLVDHMIJDWSS-UHFFFAOYSA-N Synonym: 2-nitro-4-fluorophenol,phenol, 4-fluoro-2-nitro,phenol,2-nitro,4-fluoro,4-fluoro-2-nitro-phenol,4-fluoronitrophenol,pubchem1503,acmc-1ah4y,ksc493s6p,5-fluoro-2-hydroxynitrobenzene,4-fluoro-2-nitrophenol PubChem CID: 136236 IUPAC Name: 4-fluoro-2-nitrophenol SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])O
| PubChem CID | 136236 |
|---|---|
| CAS | 394-33-2 |
| Molecular Weight (g/mol) | 157.1 |
| MDL Number | MFCD00042528 |
| SMILES | C1=CC(=C(C=C1F)[N+](=O)[O-])O |
| Synonym | 2-nitro-4-fluorophenol,phenol, 4-fluoro-2-nitro,phenol,2-nitro,4-fluoro,4-fluoro-2-nitro-phenol,4-fluoronitrophenol,pubchem1503,acmc-1ah4y,ksc493s6p,5-fluoro-2-hydroxynitrobenzene,4-fluoro-2-nitrophenol |
| IUPAC Name | 4-fluoro-2-nitrophenol |
| InChI Key | ZHRLVDHMIJDWSS-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO3 |
Disodium 2,7-Naphthalenedisulfonate 98.0+%, TCI America™
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CAS: 1655-35-2 Molecular Formula: C10H6Na2O6S2 Molecular Weight (g/mol): 332.252 MDL Number: MFCD00066365 InChI Key: XOIWXJSPLXGSLZ-UHFFFAOYSA-L Synonym: 2,7-Naphthalenedisulfonic Acid Disodium Salt, Ebert-Merz alpha-Acid Disodium Salt PubChem CID: 74249 IUPAC Name: disodium;naphthalene-2,7-disulfonate SMILES: C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 74249 |
|---|---|
| CAS | 1655-35-2 |
| Molecular Weight (g/mol) | 332.252 |
| MDL Number | MFCD00066365 |
| SMILES | C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | 2,7-Naphthalenedisulfonic Acid Disodium Salt, Ebert-Merz alpha-Acid Disodium Salt |
| IUPAC Name | disodium;naphthalene-2,7-disulfonate |
| InChI Key | XOIWXJSPLXGSLZ-UHFFFAOYSA-L |
| Molecular Formula | C10H6Na2O6S2 |
2,5-Difluorobenzyl Bromide 98.0+%, TCI America™
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CAS: 85117-99-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00009897 InChI Key: ONWGSWNHQZYCFK-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl bromide,2-bromomethyl-1,4-difluorobenzene,2,5-difluorobenzylbromide,alpha-bromo-2,5-difluorotoluene,benzene, 2-bromomethyl-1,4-difluoro,timtec-bb sbb006680,2-bromomethyl-1,4-difluoro-benzene,pubchem10213,2,2-difluorobenzylbromide,acmc-209q4i PubChem CID: 522830 IUPAC Name: 2-(bromomethyl)-1,4-difluorobenzene SMILES: FC1=CC=C(F)C(CBr)=C1
| PubChem CID | 522830 |
|---|---|
| CAS | 85117-99-3 |
| Molecular Weight (g/mol) | 207.02 |
| MDL Number | MFCD00009897 |
| SMILES | FC1=CC=C(F)C(CBr)=C1 |
| Synonym | 2,5-difluorobenzyl bromide,2-bromomethyl-1,4-difluorobenzene,2,5-difluorobenzylbromide,alpha-bromo-2,5-difluorotoluene,benzene, 2-bromomethyl-1,4-difluoro,timtec-bb sbb006680,2-bromomethyl-1,4-difluoro-benzene,pubchem10213,2,2-difluorobenzylbromide,acmc-209q4i |
| IUPAC Name | 2-(bromomethyl)-1,4-difluorobenzene |
| InChI Key | ONWGSWNHQZYCFK-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
4-Hydroxyphenyl Methyl Sulfone 98.0+%, TCI America™
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CAS: 14763-60-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00047806 InChI Key: KECCFSZFXLAGJS-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9 PubChem CID: 123350 IUPAC Name: 4-methanesulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C=C1
| PubChem CID | 123350 |
|---|---|
| CAS | 14763-60-1 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00047806 |
| SMILES | CS(=O)(=O)C1=CC=C(O)C=C1 |
| Synonym | 4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9 |
| IUPAC Name | 4-methanesulfonylphenol |
| InChI Key | KECCFSZFXLAGJS-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
3-Chloromethyl-5-nitrosalicylaldehyde 97.0+%, TCI America™
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CAS: 16644-30-7 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00191331 InChI Key: VPZKJFJWKLYFQD-UHFFFAOYSA-N PubChem CID: 99380 IUPAC Name: 3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(CCl)C=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 99380 |
|---|---|
| CAS | 16644-30-7 |
| Molecular Weight (g/mol) | 215.59 |
| MDL Number | MFCD00191331 |
| SMILES | OC1=C(CCl)C=C(C=C1C=O)[N+]([O-])=O |
| IUPAC Name | 3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | VPZKJFJWKLYFQD-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
3,4-Dimethylhippuric Acid 98.0+%, TCI America™
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CAS: 23082-12-4 Molecular Formula: C11H12NO3 Molecular Weight (g/mol): 206.22 MDL Number: MFCD00191414 InChI Key: ZDHXVMSVUHHHAE-UHFFFAOYSA-M Synonym: N-(3,4-Dimethylbenzoyl)glycine PubChem CID: 152464 IUPAC Name: 2-[(3,4-dimethylphenyl)formamido]acetate SMILES: CC1=CC=C(C=C1C)C(=O)NCC([O-])=O
| PubChem CID | 152464 |
|---|---|
| CAS | 23082-12-4 |
| Molecular Weight (g/mol) | 206.22 |
| MDL Number | MFCD00191414 |
| SMILES | CC1=CC=C(C=C1C)C(=O)NCC([O-])=O |
| Synonym | N-(3,4-Dimethylbenzoyl)glycine |
| IUPAC Name | 2-[(3,4-dimethylphenyl)formamido]acetate |
| InChI Key | ZDHXVMSVUHHHAE-UHFFFAOYSA-M |
| Molecular Formula | C11H12NO3 |
Methyl 3-(2-Bromophenyl)propionate 98.0+%, TCI America™
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CAS: 66191-86-4 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD09953149 InChI Key: NIULOVGPRAJIJM-UHFFFAOYSA-N Synonym: methyl 3-2-bromophenyl propanoate,methyl 3-2-bromophenyl propionate,benzenepropanoic acid, 2-bromo-, methyl ester,3-2-bromo-phenyl-propionic acid methyl ester,3-2-bromophenyl propanoic acid,methyl ester,ksc495a4p,2-bromohydrocinnamic acid methyl ester,3-2-bromophenyl propanoic acid methyl ester,3-2-bromophenyl propionic acid methyl ester PubChem CID: 15712815 IUPAC Name: methyl 3-(2-bromophenyl)propanoate SMILES: COC(=O)CCC1=CC=CC=C1Br
| PubChem CID | 15712815 |
|---|---|
| CAS | 66191-86-4 |
| Molecular Weight (g/mol) | 243.1 |
| MDL Number | MFCD09953149 |
| SMILES | COC(=O)CCC1=CC=CC=C1Br |
| Synonym | methyl 3-2-bromophenyl propanoate,methyl 3-2-bromophenyl propionate,benzenepropanoic acid, 2-bromo-, methyl ester,3-2-bromo-phenyl-propionic acid methyl ester,3-2-bromophenyl propanoic acid,methyl ester,ksc495a4p,2-bromohydrocinnamic acid methyl ester,3-2-bromophenyl propanoic acid methyl ester,3-2-bromophenyl propionic acid methyl ester |
| IUPAC Name | methyl 3-(2-bromophenyl)propanoate |
| InChI Key | NIULOVGPRAJIJM-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO2 |
5-Nitro-o-cresol 98.0+%, TCI America™
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CAS: 5428-54-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00043909 InChI Key: UMFDLIXUUJMPSI-UHFFFAOYSA-N Synonym: 5-nitro-o-cresol,5-nitro-2-cresol,phenol, 2-methyl-5-nitro,2-hydroxy-4-nitrotoluene,o-cresol, 5-nitro,5-nitro-2-methylphenol,2-methy-5-nitrophenol,2-methyl-5-nitro phenol,2-methyl-5-nitro-phenol,4-nitro-2-hydroxytoluene PubChem CID: 93576 IUPAC Name: 2-methyl-5-nitrophenol SMILES: CC1=CC=C(C=C1O)[N+]([O-])=O
| PubChem CID | 93576 |
|---|---|
| CAS | 5428-54-6 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00043909 |
| SMILES | CC1=CC=C(C=C1O)[N+]([O-])=O |
| Synonym | 5-nitro-o-cresol,5-nitro-2-cresol,phenol, 2-methyl-5-nitro,2-hydroxy-4-nitrotoluene,o-cresol, 5-nitro,5-nitro-2-methylphenol,2-methy-5-nitrophenol,2-methyl-5-nitro phenol,2-methyl-5-nitro-phenol,4-nitro-2-hydroxytoluene |
| IUPAC Name | 2-methyl-5-nitrophenol |
| InChI Key | UMFDLIXUUJMPSI-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Ethyltriphenylphosphonium Iodide 98.0+%, TCI America™
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CAS: 4736-60-1 Molecular Formula: C20H20IP Molecular Weight (g/mol): 418.26 MDL Number: MFCD00040352 InChI Key: SLAFUPJSGFVWPP-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide PubChem CID: 78474 IUPAC Name: ethyltriphenylphosphanium iodide SMILES: [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78474 |
|---|---|
| CAS | 4736-60-1 |
| Molecular Weight (g/mol) | 418.26 |
| MDL Number | MFCD00040352 |
| SMILES | [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide |
| IUPAC Name | ethyltriphenylphosphanium iodide |
| InChI Key | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| Molecular Formula | C20H20IP |
2-Chloro-4-fluorobenzaldehyde 97.0+%, TCI America™
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CAS: 84194-36-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00042527 InChI Key: KMQWNQKESAHDKD-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-benzaldehyde,benzaldehyde, 2-chloro-4-fluoro,pubchem1433,acmc-209pu2,2-chloro-4-fluorobezaldehyde,ksc448a5h,2-chloro 4-fluorobenzaldehyde,4-fluoro-2-chlorobenzaldehyde,2-chloro 4-fluoro benzaldehyde,timtec-bb sbb003983 PubChem CID: 145024 IUPAC Name: 2-chloro-4-fluorobenzaldehyde SMILES: FC1=CC=C(C=O)C(Cl)=C1
| PubChem CID | 145024 |
|---|---|
| CAS | 84194-36-5 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD00042527 |
| SMILES | FC1=CC=C(C=O)C(Cl)=C1 |
| Synonym | 2-chloro-4-fluoro-benzaldehyde,benzaldehyde, 2-chloro-4-fluoro,pubchem1433,acmc-209pu2,2-chloro-4-fluorobezaldehyde,ksc448a5h,2-chloro 4-fluorobenzaldehyde,4-fluoro-2-chlorobenzaldehyde,2-chloro 4-fluoro benzaldehyde,timtec-bb sbb003983 |
| IUPAC Name | 2-chloro-4-fluorobenzaldehyde |
| InChI Key | KMQWNQKESAHDKD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
1-Bromo-2-fluoro-4-nitrobenzene 95.0+%, TCI America™
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CAS: 185331-69-5 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD05865088 InChI Key: AZYQMHQOHNGPRR-UHFFFAOYSA-N Synonym: 4-bromo-3-fluoronitrobenzene,3-fluoro-4-bromonitrobenzene,benzene, 1-bromo-2-fluoro-4-nitro,pubchem1045,acmc-1byt6,ksc495e5r,1-bromo-2-fluoro-4-nitro-benzene,4-bromo-3-fluoronitrobenzene; 3-fluoro-4-bromonitrobenzene PubChem CID: 2756994 IUPAC Name: 1-bromo-2-fluoro-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC(F)=C(Br)C=C1
| PubChem CID | 2756994 |
|---|---|
| CAS | 185331-69-5 |
| Molecular Weight (g/mol) | 220.00 |
| MDL Number | MFCD05865088 |
| SMILES | [O-][N+](=O)C1=CC(F)=C(Br)C=C1 |
| Synonym | 4-bromo-3-fluoronitrobenzene,3-fluoro-4-bromonitrobenzene,benzene, 1-bromo-2-fluoro-4-nitro,pubchem1045,acmc-1byt6,ksc495e5r,1-bromo-2-fluoro-4-nitro-benzene,4-bromo-3-fluoronitrobenzene; 3-fluoro-4-bromonitrobenzene |
| IUPAC Name | 1-bromo-2-fluoro-4-nitrobenzene |
| InChI Key | AZYQMHQOHNGPRR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrFNO2 |
4-Bromo-2-tert-butylphenol 95.0+%, TCI America™
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CAS: 10323-39-4 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00192645 InChI Key: IKMJSWBFODAWTC-UHFFFAOYSA-N PubChem CID: 97068 IUPAC Name: 4-bromo-2-tert-butylphenol SMILES: CC(C)(C)C1=CC(Br)=CC=C1O
| PubChem CID | 97068 |
|---|---|
| CAS | 10323-39-4 |
| Molecular Weight (g/mol) | 229.12 |
| MDL Number | MFCD00192645 |
| SMILES | CC(C)(C)C1=CC(Br)=CC=C1O |
| IUPAC Name | 4-bromo-2-tert-butylphenol |
| InChI Key | IKMJSWBFODAWTC-UHFFFAOYSA-N |
| Molecular Formula | C10H13BrO |
3-Chloro-2-nitrotoluene 96.0+%, TCI America™
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CAS: 5367-26-0 Molecular Formula: C15H22N2O4 Molecular Weight (g/mol): 294.35 MDL Number: MFCD04117977 InChI Key: QTKPBWWPUDOQGJ-UHFFFAOYSA-N PubChem CID: 79328 IUPAC Name: 4-[5-(4-nitrophenoxy)pentyl]morpholine SMILES: [O-][N+](=O)C1=CC=C(OCCCCCN2CCOCC2)C=C1
| PubChem CID | 79328 |
|---|---|
| CAS | 5367-26-0 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD04117977 |
| SMILES | [O-][N+](=O)C1=CC=C(OCCCCCN2CCOCC2)C=C1 |
| IUPAC Name | 4-[5-(4-nitrophenoxy)pentyl]morpholine |
| InChI Key | QTKPBWWPUDOQGJ-UHFFFAOYSA-N |
| Molecular Formula | C15H22N2O4 |
5-Bromo-2-chloro-4-fluoroanisole 98.0+%, TCI America™
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CAS: 146447-18-9 Molecular Formula: C7H5BrClFO Molecular Weight (g/mol): 239.468 MDL Number: MFCD07784265 InChI Key: KHRHCBZTZQFNDK-UHFFFAOYSA-N Synonym: 1-Bromo-4-chloro-2-fluoro-5-methoxybenzene PubChem CID: 10220378 IUPAC Name: 1-bromo-4-chloro-2-fluoro-5-methoxybenzene SMILES: COC1=CC(=C(C=C1Cl)F)Br
| PubChem CID | 10220378 |
|---|---|
| CAS | 146447-18-9 |
| Molecular Weight (g/mol) | 239.468 |
| MDL Number | MFCD07784265 |
| SMILES | COC1=CC(=C(C=C1Cl)F)Br |
| Synonym | 1-Bromo-4-chloro-2-fluoro-5-methoxybenzene |
| IUPAC Name | 1-bromo-4-chloro-2-fluoro-5-methoxybenzene |
| InChI Key | KHRHCBZTZQFNDK-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClFO |
Tetrabromobisphenol A Bis(2-hydroxyethyl) Ether 93.0+%, TCI America™
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CAS: 4162-45-2 Molecular Formula: C19H20Br4O4 Molecular Weight (g/mol): 631.981 MDL Number: MFCD00059603 InChI Key: RVHUMFJSCJBNGS-UHFFFAOYSA-N Synonym: 2,2-Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propane, O,O-Bis(2-hydroxyethyl)tetrabromobisphenol A PubChem CID: 20113 IUPAC Name: 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol SMILES: CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br
| PubChem CID | 20113 |
|---|---|
| CAS | 4162-45-2 |
| Molecular Weight (g/mol) | 631.981 |
| MDL Number | MFCD00059603 |
| SMILES | CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br |
| Synonym | 2,2-Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propane, O,O-Bis(2-hydroxyethyl)tetrabromobisphenol A |
| IUPAC Name | 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol |
| InChI Key | RVHUMFJSCJBNGS-UHFFFAOYSA-N |
| Molecular Formula | C19H20Br4O4 |