Benzene and substituted derivatives
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6,6-Diphenylfulvene 98.0+%, TCI America™
CAS: 2175-90-8 Molecular Formula: C18H14 Molecular Weight (g/mol): 230.31 MDL Number: MFCD00001419 InChI Key: BULLHRADHZGONG-UHFFFAOYSA-N Synonym: 5-(Diphenylmethylene)-1,3-cyclopentadiene PubChem CID: 101236 IUPAC Name: [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=CC=C3
| PubChem CID | 101236 |
|---|---|
| CAS | 2175-90-8 |
| Molecular Weight (g/mol) | 230.31 |
| MDL Number | MFCD00001419 |
| SMILES | C1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=CC=C3 |
| Synonym | 5-(Diphenylmethylene)-1,3-cyclopentadiene |
| IUPAC Name | [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene |
| InChI Key | BULLHRADHZGONG-UHFFFAOYSA-N |
| Molecular Formula | C18H14 |
Methyl 4-Bromo-3-methylbenzoate 97.0+%, TCI America™
CAS: 148547-19-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00673014 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br
| PubChem CID | 3294148 |
|---|---|
| CAS | 148547-19-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00673014 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)Br |
| Synonym | 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 |
| IUPAC Name | methyl 4-bromo-3-methylbenzoate |
| InChI Key | GTZTYNPAPQKIIR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
1,4-Dibromo-2-iodobenzene 98.0+%, TCI America™
CAS: 89284-52-6 Molecular Formula: C6H3Br2I Molecular Weight (g/mol): 361.802 MDL Number: MFCD07778993 InChI Key: VLRYPRKTXDPVNN-UHFFFAOYSA-N PubChem CID: 13406348 IUPAC Name: 1,4-dibromo-2-iodobenzene SMILES: C1=CC(=C(C=C1Br)I)Br
| PubChem CID | 13406348 |
|---|---|
| CAS | 89284-52-6 |
| Molecular Weight (g/mol) | 361.802 |
| MDL Number | MFCD07778993 |
| SMILES | C1=CC(=C(C=C1Br)I)Br |
| IUPAC Name | 1,4-dibromo-2-iodobenzene |
| InChI Key | VLRYPRKTXDPVNN-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2I |
4,4'-Diamyloxybiphenyl 98.0+%, TCI America™
CAS: 21470-41-7 Molecular Formula: C22H30O2 Molecular Weight (g/mol): 326.48 MDL Number: MFCD00059432 InChI Key: XTKHESQIKTWMCD-UHFFFAOYSA-N PubChem CID: 629825 IUPAC Name: 4,4'-bis(pentyloxy)-1,1'-biphenyl SMILES: CCCCCOC1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1
| PubChem CID | 629825 |
|---|---|
| CAS | 21470-41-7 |
| Molecular Weight (g/mol) | 326.48 |
| MDL Number | MFCD00059432 |
| SMILES | CCCCCOC1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1 |
| IUPAC Name | 4,4'-bis(pentyloxy)-1,1'-biphenyl |
| InChI Key | XTKHESQIKTWMCD-UHFFFAOYSA-N |
| Molecular Formula | C22H30O2 |
Bis(2-formylphenyl) Ether 98.0+%, TCI America™
CAS: 49590-51-4 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00191616 InChI Key: LMJZLKFWMQOYKU-UHFFFAOYSA-N PubChem CID: 614688 IUPAC Name: 2-(2-formylphenoxy)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)OC2=CC=CC=C2C=O
| PubChem CID | 614688 |
|---|---|
| CAS | 49590-51-4 |
| Molecular Weight (g/mol) | 226.231 |
| MDL Number | MFCD00191616 |
| SMILES | C1=CC=C(C(=C1)C=O)OC2=CC=CC=C2C=O |
| IUPAC Name | 2-(2-formylphenoxy)benzaldehyde |
| InChI Key | LMJZLKFWMQOYKU-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
4-(Trifluoromethoxy)aniline 98.0+%, TCI America™
CAS: 461-82-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00041314 InChI Key: XUJFOSLZQITUOI-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole PubChem CID: 600848 IUPAC Name: 4-(trifluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)(F)F
| PubChem CID | 600848 |
|---|---|
| CAS | 461-82-5 |
| Molecular Weight (g/mol) | 177.126 |
| MDL Number | MFCD00041314 |
| SMILES | C1=CC(=CC=C1N)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole |
| IUPAC Name | 4-(trifluoromethoxy)aniline |
| InChI Key | XUJFOSLZQITUOI-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO |
4-Amino-2,5-difluorobenzonitrile 98.0+%, TCI America™
CAS: 112279-61-5 Molecular Formula: C7H4F2N2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00190102 InChI Key: LAPGMTOHOQPDGI-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75 PubChem CID: 2735900 IUPAC Name: 4-amino-2,5-difluorobenzonitrile SMILES: C1=C(C(=CC(=C1F)N)F)C#N
| PubChem CID | 2735900 |
|---|---|
| CAS | 112279-61-5 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00190102 |
| SMILES | C1=C(C(=CC(=C1F)N)F)C#N |
| Synonym | 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75 |
| IUPAC Name | 4-amino-2,5-difluorobenzonitrile |
| InChI Key | LAPGMTOHOQPDGI-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2N2 |
N-Allylbenzylamine 97.0+%, TCI America™
CAS: 4383-22-6 Molecular Formula: C10H13N Molecular Weight (g/mol): 147.22 MDL Number: MFCD00463446 InChI Key: RHUCQDQRNUUMKY-UHFFFAOYSA-N Synonym: 3-(Benzylamino)-1-propene, N-Benzylallylamine PubChem CID: 521150 IUPAC Name: benzyl(prop-2-en-1-yl)amine SMILES: C=CCNCC1=CC=CC=C1
| PubChem CID | 521150 |
|---|---|
| CAS | 4383-22-6 |
| Molecular Weight (g/mol) | 147.22 |
| MDL Number | MFCD00463446 |
| SMILES | C=CCNCC1=CC=CC=C1 |
| Synonym | 3-(Benzylamino)-1-propene, N-Benzylallylamine |
| IUPAC Name | benzyl(prop-2-en-1-yl)amine |
| InChI Key | RHUCQDQRNUUMKY-UHFFFAOYSA-N |
| Molecular Formula | C10H13N |
2-Fluoro-6-methoxybenzonitrile 98.0+%, TCI America™
CAS: 94088-46-7 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00042291 InChI Key: YPMSIWYNTPSPMV-UHFFFAOYSA-N Synonym: 2-cyano-3-fluoroanisole,benzonitrile, 2-fluoro-6-methoxy,6-fluoro-o-anisonitrile,2-fluoro-6-methoxybenzenecarbonitrile,buttpark 45\03-64,pubchem10117,acmc-209rov,ksc494m1p,2-fluoro-6-methoxycyanobenzene PubChem CID: 523101 IUPAC Name: 2-fluoro-6-methoxybenzonitrile SMILES: COC1=C(C(=CC=C1)F)C#N
| PubChem CID | 523101 |
|---|---|
| CAS | 94088-46-7 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD00042291 |
| SMILES | COC1=C(C(=CC=C1)F)C#N |
| Synonym | 2-cyano-3-fluoroanisole,benzonitrile, 2-fluoro-6-methoxy,6-fluoro-o-anisonitrile,2-fluoro-6-methoxybenzenecarbonitrile,buttpark 45\03-64,pubchem10117,acmc-209rov,ksc494m1p,2-fluoro-6-methoxycyanobenzene |
| IUPAC Name | 2-fluoro-6-methoxybenzonitrile |
| InChI Key | YPMSIWYNTPSPMV-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
3-Bromobenzyl Chloride 98.0+%, TCI America™
CAS: 932-77-4 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040865 InChI Key: UDKGXKYEWBGQCG-UHFFFAOYSA-N Synonym: 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene PubChem CID: 523059 IUPAC Name: 1-bromo-3-(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CCl
| PubChem CID | 523059 |
|---|---|
| CAS | 932-77-4 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00040865 |
| SMILES | C1=CC(=CC(=C1)Br)CCl |
| Synonym | 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene |
| IUPAC Name | 1-bromo-3-(chloromethyl)benzene |
| InChI Key | UDKGXKYEWBGQCG-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
3-Methyl-4-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 18370 |
|---|---|
| CAS | 3113-71-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007168 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChI Key | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
2-Fluoro-6-methylaniline 98.0+%, TCI America™
CAS: 443-89-0 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD06658252 InChI Key: CMVJYZNBMRJICR-UHFFFAOYSA-N Synonym: 2-amino-3-fluorotoluene,3-fluoro-2-aminotoluene,6-fluoro-o-toluidine,2-fluoro-6-methyl-phenylamine,2-fluoro-6-methylbenzenamine,6-fluoro-2-methylphenylamine,benzenamine, 2-fluoro-6-methyl,pubchem4470,acmc-209jxr,2-fluoro-6-methyl aniline PubChem CID: 14155411 IUPAC Name: 2-fluoro-6-methylaniline SMILES: CC1=C(C(=CC=C1)F)N
| PubChem CID | 14155411 |
|---|---|
| CAS | 443-89-0 |
| Molecular Weight (g/mol) | 125.146 |
| MDL Number | MFCD06658252 |
| SMILES | CC1=C(C(=CC=C1)F)N |
| Synonym | 2-amino-3-fluorotoluene,3-fluoro-2-aminotoluene,6-fluoro-o-toluidine,2-fluoro-6-methyl-phenylamine,2-fluoro-6-methylbenzenamine,6-fluoro-2-methylphenylamine,benzenamine, 2-fluoro-6-methyl,pubchem4470,acmc-209jxr,2-fluoro-6-methyl aniline |
| IUPAC Name | 2-fluoro-6-methylaniline |
| InChI Key | CMVJYZNBMRJICR-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
Triphenylmethylium Tetrakis(pentafluorophenyl)borate 98.0+%, TCI America™
CAS: 136040-19-2 Molecular Formula: C43H15BF20 Molecular Weight (g/mol): 922.37 MDL Number: MFCD03426981 InChI Key: TZOSNOQHGGONMD-UHFFFAOYSA-N Synonym: triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate PubChem CID: 9832824 IUPAC Name: tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; triphenylmethylium SMILES: C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 9832824 |
|---|---|
| CAS | 136040-19-2 |
| Molecular Weight (g/mol) | 922.37 |
| MDL Number | MFCD03426981 |
| SMILES | C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate |
| IUPAC Name | tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; triphenylmethylium |
| InChI Key | TZOSNOQHGGONMD-UHFFFAOYSA-N |
| Molecular Formula | C43H15BF20 |
N-Benzylidenebenzenesulfonamide 98.0+%, TCI America™
CAS: 13909-34-7 Molecular Formula: C13H11NO2S Molecular Weight (g/mol): 245.30 MDL Number: MFCD00011587 InChI Key: MPNRJEPBAYEQBY-UHFFFAOYSA-N PubChem CID: 9602006 IUPAC Name: N-(phenylmethylidene)benzenesulfonamide SMILES: O=S(=O)(N=CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9602006 |
|---|---|
| CAS | 13909-34-7 |
| Molecular Weight (g/mol) | 245.30 |
| MDL Number | MFCD00011587 |
| SMILES | O=S(=O)(N=CC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | N-(phenylmethylidene)benzenesulfonamide |
| InChI Key | MPNRJEPBAYEQBY-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2S |
2-Bromophenylacetone 98.0+%, TCI America™
CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br
| PubChem CID | 2734092 |
|---|---|
| CAS | 21906-31-0 |
| Molecular Weight (g/mol) | 213.074 |
| SMILES | CC(=O)CC1=CC=CC=C1Br |
| Synonym | 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 |
| IUPAC Name | 1-(2-bromophenyl)propan-2-one |
| InChI Key | TZIAZLUAMDLDJF-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |