Benzene and substituted derivatives
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3-Fluoro-4-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 403-20-3 Molecular Formula: C8H6FO3 Molecular Weight (g/mol): 169.13 MDL Number: MFCD00060675 InChI Key: HYNNNQDQEORWEU-UHFFFAOYSA-M Synonym: 3-fluoro-4-methoxy-benzoic acid,3-fluoro-p-anisic acid,3-fluoro-4-methoxy benzoic acid,3-fluoro-4-methoxybenzoicacid,pubchem1393,opera_id_903,acmc-209jd1,ksc494s2f,3-fluoro-4-methoxy benzoicacid,rarechem al bo 0870 PubChem CID: 2733401 IUPAC Name: 3-fluoro-4-methoxybenzoate SMILES: COC1=CC=C(C=C1F)C([O-])=O
| PubChem CID | 2733401 |
|---|---|
| CAS | 403-20-3 |
| Molecular Weight (g/mol) | 169.13 |
| MDL Number | MFCD00060675 |
| SMILES | COC1=CC=C(C=C1F)C([O-])=O |
| Synonym | 3-fluoro-4-methoxy-benzoic acid,3-fluoro-p-anisic acid,3-fluoro-4-methoxy benzoic acid,3-fluoro-4-methoxybenzoicacid,pubchem1393,opera_id_903,acmc-209jd1,ksc494s2f,3-fluoro-4-methoxy benzoicacid,rarechem al bo 0870 |
| IUPAC Name | 3-fluoro-4-methoxybenzoate |
| InChI Key | HYNNNQDQEORWEU-UHFFFAOYSA-M |
| Molecular Formula | C8H6FO3 |
2-Chloro-5-hydroxybenzotrifluoride 98.0+%, TCI America™
CAS: 6294-93-5 Molecular Formula: C7H4ClF3O Molecular Weight (g/mol): 196.55 MDL Number: MFCD00042525 InChI Key: ZLFPIEUWXNRPNM-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenol,2-chloro-5-hydroxybenzotrifluoride,phenol, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl-phenol,phenol, p-chloro-m-trifluoromethyl,p-chloro-m-trifluoromethylphenol,2-chloro-5-hydroxybezotrifluoride,pubchem2863 PubChem CID: 80520 IUPAC Name: 4-chloro-3-(trifluoromethyl)phenol SMILES: OC1=CC=C(Cl)C(=C1)C(F)(F)F
| PubChem CID | 80520 |
|---|---|
| CAS | 6294-93-5 |
| Molecular Weight (g/mol) | 196.55 |
| MDL Number | MFCD00042525 |
| SMILES | OC1=CC=C(Cl)C(=C1)C(F)(F)F |
| Synonym | 4-chloro-3-trifluoromethyl phenol,2-chloro-5-hydroxybenzotrifluoride,phenol, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl-phenol,phenol, p-chloro-m-trifluoromethyl,p-chloro-m-trifluoromethylphenol,2-chloro-5-hydroxybezotrifluoride,pubchem2863 |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)phenol |
| InChI Key | ZLFPIEUWXNRPNM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O |
4-Fluorobenzohydrazide 98.0+%, TCI America™
CAS: 456-06-4 Molecular Formula: C7H7FN2O Molecular Weight (g/mol): 154.144 InChI Key: UIVXXFYJRYVRKJ-UHFFFAOYSA-N Synonym: 4-fluorobenzhydrazide,4-fluorobenzoic hydrazide,p-fluorobenzoic acid hydrazide,p-fluorobenzoylhydrazine,4-fluorobenzoic acid hydrazide,hydrazine, p-fluorobenzoyl,4-fluoro benzoyl hydrazine,benzoic acid, p-fluoro-, hydrazide,4-fluorobenzenecarbohydrazide,4-fluoro-benzoic acid hydrazide PubChem CID: 9972 IUPAC Name: 4-fluorobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)F
| PubChem CID | 9972 |
|---|---|
| CAS | 456-06-4 |
| Molecular Weight (g/mol) | 154.144 |
| SMILES | C1=CC(=CC=C1C(=O)NN)F |
| Synonym | 4-fluorobenzhydrazide,4-fluorobenzoic hydrazide,p-fluorobenzoic acid hydrazide,p-fluorobenzoylhydrazine,4-fluorobenzoic acid hydrazide,hydrazine, p-fluorobenzoyl,4-fluoro benzoyl hydrazine,benzoic acid, p-fluoro-, hydrazide,4-fluorobenzenecarbohydrazide,4-fluoro-benzoic acid hydrazide |
| IUPAC Name | 4-fluorobenzohydrazide |
| InChI Key | UIVXXFYJRYVRKJ-UHFFFAOYSA-N |
| Molecular Formula | C7H7FN2O |
3-Iodoaniline 99.0+%, TCI America™
CAS: 626-01-7 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.025 MDL Number: MFCD00007781 InChI Key: FFCSRWGYGMRBGD-UHFFFAOYSA-N Synonym: m-iodoaniline,benzenamine, 3-iodo,aniline, m-iodo,m-aminoiodobenzene,3-iodobenzenamine,1-amino-3-iodobenzene,3-iodo-phenylamine,3iodoaniline,3-iodo-aniline,3-iodophenylamine PubChem CID: 12271 IUPAC Name: 3-iodoaniline SMILES: C1=CC(=CC(=C1)I)N
| PubChem CID | 12271 |
|---|---|
| CAS | 626-01-7 |
| Molecular Weight (g/mol) | 219.025 |
| MDL Number | MFCD00007781 |
| SMILES | C1=CC(=CC(=C1)I)N |
| Synonym | m-iodoaniline,benzenamine, 3-iodo,aniline, m-iodo,m-aminoiodobenzene,3-iodobenzenamine,1-amino-3-iodobenzene,3-iodo-phenylamine,3iodoaniline,3-iodo-aniline,3-iodophenylamine |
| IUPAC Name | 3-iodoaniline |
| InChI Key | FFCSRWGYGMRBGD-UHFFFAOYSA-N |
| Molecular Formula | C6H6IN |
2-Fluorobenzonitrile 98.0+%, TCI America™
CAS: 394-47-8 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001773 InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N Synonym: o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene PubChem CID: 67855 IUPAC Name: 2-fluorobenzonitrile SMILES: FC1=CC=CC=C1C#N
| PubChem CID | 67855 |
|---|---|
| CAS | 394-47-8 |
| Molecular Weight (g/mol) | 121.11 |
| MDL Number | MFCD00001773 |
| SMILES | FC1=CC=CC=C1C#N |
| Synonym | o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene |
| IUPAC Name | 2-fluorobenzonitrile |
| InChI Key | GDHXJNRAJRCGMX-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
4-Bromocumene 97.0+%, TCI America™
CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-(propan-2-yl)benzene SMILES: CC(C)C1=CC=C(Br)C=C1
| PubChem CID | 11462 |
|---|---|
| CAS | 586-61-8 |
| Molecular Weight (g/mol) | 199.09 |
| MDL Number | MFCD00039159 |
| SMILES | CC(C)C1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane |
| IUPAC Name | 1-bromo-4-(propan-2-yl)benzene |
| InChI Key | MOZHUOIQYVYEPN-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
4-Bromo-2-fluorobenzaldehyde 96.0+%, TCI America™
CAS: 57848-46-1 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00143261 InChI Key: UPCARQPLANFGQJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde PubChem CID: 143517 IUPAC Name: 4-bromo-2-fluorobenzaldehyde SMILES: FC1=CC(Br)=CC=C1C=O
| PubChem CID | 143517 |
|---|---|
| CAS | 57848-46-1 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00143261 |
| SMILES | FC1=CC(Br)=CC=C1C=O |
| Synonym | 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde |
| IUPAC Name | 4-bromo-2-fluorobenzaldehyde |
| InChI Key | UPCARQPLANFGQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Dienestrol 96.0+%, TCI America™
CAS: 84-17-3 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00050983 InChI Key: NFDFQCUYFHCNBW-SCGPFSFSSA-N PubChem CID: 667476 IUPAC Name: 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol SMILES: CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O
| PubChem CID | 667476 |
|---|---|
| CAS | 84-17-3 |
| Molecular Weight (g/mol) | 266.34 |
| MDL Number | MFCD00050983 |
| SMILES | CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O |
| IUPAC Name | 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol |
| InChI Key | NFDFQCUYFHCNBW-SCGPFSFSSA-N |
| Molecular Formula | C18H18O2 |
tert-Butyl [Bis(4-methoxyphenyl)phosphinyloxy]carbamate 95.0+%, TCI America™
CAS: 619333-95-8 Molecular Formula: C19H24NO6P Molecular Weight (g/mol): 393.38 MDL Number: MFCD08276321 InChI Key: BNMBQDIFMJFRAF-UHFFFAOYSA-N Synonym: [Bis(4-methoxyphenyl)phosphinyloxy]carbamic Acid tert-Butyl Ester, O-[Bis(4-methoxyphenyl)phosphinyl]-N-Boc-hydroxylamine, O-[Bis(4-methoxyphenyl)phosphinyl]-N-(tert-butoxycarbonyl)hydroxylamine PubChem CID: 44629804 IUPAC Name: tert-butyl N-{[bis(4-methoxyphenyl)phosphoroso]oxy}carbamate SMILES: COC1=CC=C(C=C1)P(=O)(ONC(=O)OC(C)(C)C)C1=CC=C(OC)C=C1
| PubChem CID | 44629804 |
|---|---|
| CAS | 619333-95-8 |
| Molecular Weight (g/mol) | 393.38 |
| MDL Number | MFCD08276321 |
| SMILES | COC1=CC=C(C=C1)P(=O)(ONC(=O)OC(C)(C)C)C1=CC=C(OC)C=C1 |
| Synonym | [Bis(4-methoxyphenyl)phosphinyloxy]carbamic Acid tert-Butyl Ester, O-[Bis(4-methoxyphenyl)phosphinyl]-N-Boc-hydroxylamine, O-[Bis(4-methoxyphenyl)phosphinyl]-N-(tert-butoxycarbonyl)hydroxylamine |
| IUPAC Name | tert-butyl N-{[bis(4-methoxyphenyl)phosphoroso]oxy}carbamate |
| InChI Key | BNMBQDIFMJFRAF-UHFFFAOYSA-N |
| Molecular Formula | C19H24NO6P |
Methyl 3-(Trifluoromethyl)benzoate 98.0+%, TCI America™
CAS: 2557-13-3 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 InChI Key: QQHNNQCWKYFNAC-UHFFFAOYSA-N Synonym: methyl 3-trifluoromethyl benzoate,3-carbomethoxybenzotrifluoride,3-trifluoromethyl benzoic acid methyl ester,methyl3-trifluoromethyl benzoate,methyl m-trifluoromethyl benzoate,3-trifluoromethyl-benzoic aic methyl ester,mtf-bom,methyl m-trifluoromethylbenzoate,3-methoxycarbonyl benzotrifluoride PubChem CID: 520213 IUPAC Name: methyl 3-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC(=CC=C1)C(F)(F)F
| PubChem CID | 520213 |
|---|---|
| CAS | 2557-13-3 |
| Molecular Weight (g/mol) | 204.148 |
| SMILES | COC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Synonym | methyl 3-trifluoromethyl benzoate,3-carbomethoxybenzotrifluoride,3-trifluoromethyl benzoic acid methyl ester,methyl3-trifluoromethyl benzoate,methyl m-trifluoromethyl benzoate,3-trifluoromethyl-benzoic aic methyl ester,mtf-bom,methyl m-trifluoromethylbenzoate,3-methoxycarbonyl benzotrifluoride |
| IUPAC Name | methyl 3-(trifluoromethyl)benzoate |
| InChI Key | QQHNNQCWKYFNAC-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
2,2-Bis(4-isocyanatophenyl)hexafluoropropane 98.0+%, TCI America™
CAS: 10224-18-7 Molecular Formula: C17H8F6N2O2 Molecular Weight (g/mol): 386.25 MDL Number: MFCD00142759 InChI Key: QIPLQPPNURSGKC-UHFFFAOYSA-N Synonym: 4,4′C-(Hexafluoroisopropylidene)bis(isocyanatobenzene) PubChem CID: 2736044 IUPAC Name: 1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene SMILES: FC(F)(F)C(C1=CC=C(C=C1)N=C=O)(C1=CC=C(C=C1)N=C=O)C(F)(F)F
| PubChem CID | 2736044 |
|---|---|
| CAS | 10224-18-7 |
| Molecular Weight (g/mol) | 386.25 |
| MDL Number | MFCD00142759 |
| SMILES | FC(F)(F)C(C1=CC=C(C=C1)N=C=O)(C1=CC=C(C=C1)N=C=O)C(F)(F)F |
| Synonym | 4,4′C-(Hexafluoroisopropylidene)bis(isocyanatobenzene) |
| IUPAC Name | 1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene |
| InChI Key | QIPLQPPNURSGKC-UHFFFAOYSA-N |
| Molecular Formula | C17H8F6N2O2 |
5-Fluoro-2-methylbenzonitrile 98.0+%, TCI America™
CAS: 77532-79-7 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00042295 InChI Key: IBRODYNXELBTJC-UHFFFAOYSA-N Synonym: 2-cyano-4-fluorotoluene,2-methyl-5-fluorobenzonitrile,benzonitrile, 5-fluoro-2-methyl,3-fluoro-6-methylbenzonitrile,5-fluoro-2-methyl-benzonitrile,5-fluoro-o-tolunitrile,5-fluoro-2-methylbenzenecarbonitrile,2-methy-5-fluoro benzonitrile,pubchem1551,acmc-209pak PubChem CID: 522668 IUPAC Name: 5-fluoro-2-methylbenzonitrile SMILES: CC1=C(C=C(C=C1)F)C#N
| PubChem CID | 522668 |
|---|---|
| CAS | 77532-79-7 |
| Molecular Weight (g/mol) | 135.141 |
| MDL Number | MFCD00042295 |
| SMILES | CC1=C(C=C(C=C1)F)C#N |
| Synonym | 2-cyano-4-fluorotoluene,2-methyl-5-fluorobenzonitrile,benzonitrile, 5-fluoro-2-methyl,3-fluoro-6-methylbenzonitrile,5-fluoro-2-methyl-benzonitrile,5-fluoro-o-tolunitrile,5-fluoro-2-methylbenzenecarbonitrile,2-methy-5-fluoro benzonitrile,pubchem1551,acmc-209pak |
| IUPAC Name | 5-fluoro-2-methylbenzonitrile |
| InChI Key | IBRODYNXELBTJC-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |