Benzenoids
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3-Methylcatechol 99.0+%, TCI America™
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CAS: 488-17-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00016435 InChI Key: PGSWEKYNAOWQDF-UHFFFAOYSA-N Synonym: 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol PubChem CID: 340 ChEBI: CHEBI:18404 IUPAC Name: 3-methylbenzene-1,2-diol SMILES: CC1=C(C(=CC=C1)O)O
| PubChem CID | 340 |
|---|---|
| CAS | 488-17-5 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:18404 |
| MDL Number | MFCD00016435 |
| SMILES | CC1=C(C(=CC=C1)O)O |
| Synonym | 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol |
| IUPAC Name | 3-methylbenzene-1,2-diol |
| InChI Key | PGSWEKYNAOWQDF-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
1-Bromo-2,5-bis(trifluoromethyl)benzene 87.0+%, TCI America™
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CAS: 7617-93-8 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD03094336 InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene PubChem CID: 2734763 IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
| PubChem CID | 2734763 |
|---|---|
| CAS | 7617-93-8 |
| Molecular Weight (g/mol) | 293.006 |
| MDL Number | MFCD03094336 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F |
| Synonym | 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene |
| IUPAC Name | 2-bromo-1,4-bis(trifluoromethyl)benzene |
| InChI Key | GFQNSGHVOFVTLC-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrF6 |
4-Bromo-3-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
| PubChem CID | 232986 |
|---|---|
| CAS | 6319-40-0 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00272137 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br |
| Synonym | 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # |
| InChI Key | RVCTZJVBWNFYRU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
4-Formylbenzonitrile 98.0+%, TCI America™
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CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N
| PubChem CID | 66042 |
|---|---|
| CAS | 105-07-7 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00003376 |
| SMILES | O=CC1=CC=C(C=C1)C#N |
| Synonym | 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile |
| IUPAC Name | 4-formylbenzonitrile |
| InChI Key | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
4-Chloro-2-iodophenol 98.0+%, TCI America™
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CAS: 71643-66-8 Molecular Formula: C6H4ClIO Molecular Weight (g/mol): 254.451 MDL Number: MFCD08235248 InChI Key: JKPLMQJLGBBFLO-UHFFFAOYSA-N PubChem CID: 620234 IUPAC Name: 4-chloro-2-iodophenol SMILES: C1=CC(=C(C=C1Cl)I)O
| PubChem CID | 620234 |
|---|---|
| CAS | 71643-66-8 |
| Molecular Weight (g/mol) | 254.451 |
| MDL Number | MFCD08235248 |
| SMILES | C1=CC(=C(C=C1Cl)I)O |
| IUPAC Name | 4-chloro-2-iodophenol |
| InChI Key | JKPLMQJLGBBFLO-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClIO |
9-Anthrylmethyl Methacrylate 98.0+%, TCI America™
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CAS: 31645-35-9 Molecular Formula: C19H16O2 Molecular Weight (g/mol): 276.335 MDL Number: MFCD00673247 InChI Key: MJYSISMEPNOHEG-UHFFFAOYSA-N Synonym: Methacrylic Acid 9-Anthrylmethyl Ester PubChem CID: 3618754 IUPAC Name: anthracen-9-ylmethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31
| PubChem CID | 3618754 |
|---|---|
| CAS | 31645-35-9 |
| Molecular Weight (g/mol) | 276.335 |
| MDL Number | MFCD00673247 |
| SMILES | CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31 |
| Synonym | Methacrylic Acid 9-Anthrylmethyl Ester |
| IUPAC Name | anthracen-9-ylmethyl 2-methylprop-2-enoate |
| InChI Key | MJYSISMEPNOHEG-UHFFFAOYSA-N |
| Molecular Formula | C19H16O2 |
(4-Methoxyphenyl)urea 98.0+%, TCI America™
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CAS: 1566-42-3 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00014789 InChI Key: PGUKYDVWVXRPKK-UHFFFAOYSA-N Synonym: 4-methoxyphenyl urea,urea, 4-methoxyphenyl,p-anisylurea,1-4-methoxyphenyl urea,urea, p-methoxyphenyl,p-methoxyphenyl urea,p-methoxyphenylurea,n-4-methoxyphenyl urea,amino-n-4-methoxyphenyl amide,acmc-20amej PubChem CID: 74066 IUPAC Name: (4-methoxyphenyl)urea SMILES: COC1=CC=C(NC(N)=O)C=C1
| PubChem CID | 74066 |
|---|---|
| CAS | 1566-42-3 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00014789 |
| SMILES | COC1=CC=C(NC(N)=O)C=C1 |
| Synonym | 4-methoxyphenyl urea,urea, 4-methoxyphenyl,p-anisylurea,1-4-methoxyphenyl urea,urea, p-methoxyphenyl,p-methoxyphenyl urea,p-methoxyphenylurea,n-4-methoxyphenyl urea,amino-n-4-methoxyphenyl amide,acmc-20amej |
| IUPAC Name | (4-methoxyphenyl)urea |
| InChI Key | PGUKYDVWVXRPKK-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
2-Bromo-6-fluorobenzonitrile 97.0+%, TCI America™
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CAS: 79544-27-7 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD06797753 InChI Key: IELGUZKHALDFOO-UHFFFAOYSA-N Synonym: 2-fluoro-6-bromobenzonitrile,6-bromo-2-fluorobenzonitrile,2-bromo-6-fluoro-benzonitrile,2-cyano-3-fluoro-1-bromobenzene,benzonitrile, 2-bromo-6-fluoro,3-bromo-2-cyanofluorobenzene,6-bromo-2-fluorobenzenecarbonitrile,2-cyano-3-fluorobromobenzene,pubchem2221,acmc-209pho PubChem CID: 2783139 IUPAC Name: 2-bromo-6-fluorobenzonitrile SMILES: FC1=C(C#N)C(Br)=CC=C1
| PubChem CID | 2783139 |
|---|---|
| CAS | 79544-27-7 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD06797753 |
| SMILES | FC1=C(C#N)C(Br)=CC=C1 |
| Synonym | 2-fluoro-6-bromobenzonitrile,6-bromo-2-fluorobenzonitrile,2-bromo-6-fluoro-benzonitrile,2-cyano-3-fluoro-1-bromobenzene,benzonitrile, 2-bromo-6-fluoro,3-bromo-2-cyanofluorobenzene,6-bromo-2-fluorobenzenecarbonitrile,2-cyano-3-fluorobromobenzene,pubchem2221,acmc-209pho |
| IUPAC Name | 2-bromo-6-fluorobenzonitrile |
| InChI Key | IELGUZKHALDFOO-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
4-Aminophthalic Acid 95.0+%, TCI America™
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CAS: 5434-21-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00013985 InChI Key: OXSANYRLJHSQEP-UHFFFAOYSA-N Synonym: 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 PubChem CID: 72912 IUPAC Name: 4-aminophthalic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)C(=O)O
| PubChem CID | 72912 |
|---|---|
| CAS | 5434-21-9 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00013985 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)C(=O)O |
| Synonym | 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 |
| IUPAC Name | 4-aminophthalic acid |
| InChI Key | OXSANYRLJHSQEP-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
1-Bromo-3,5-difluorobenzene 98.0+%, TCI America™
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CAS: 461-96-1 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00010305 InChI Key: JHLKSIOJYMGSMB-UHFFFAOYSA-N Synonym: 3,5-difluorobromobenzene,1-bromo-3,5-difluoro-benzene,1-bromo-3,5-difluoro benzene,benzene, 1-bromo-3,5-difluoro,3,5-difluoro-bromobenzene,pubchem1042,acmc-1ae0k,3,5-difluoro bromobenzene,bromo-3,5-difluorobenzene,3,5-difluorophenyl bromide PubChem CID: 136313 IUPAC Name: 1-bromo-3,5-difluorobenzene SMILES: FC1=CC(Br)=CC(F)=C1
| PubChem CID | 136313 |
|---|---|
| CAS | 461-96-1 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00010305 |
| SMILES | FC1=CC(Br)=CC(F)=C1 |
| Synonym | 3,5-difluorobromobenzene,1-bromo-3,5-difluoro-benzene,1-bromo-3,5-difluoro benzene,benzene, 1-bromo-3,5-difluoro,3,5-difluoro-bromobenzene,pubchem1042,acmc-1ae0k,3,5-difluoro bromobenzene,bromo-3,5-difluorobenzene,3,5-difluorophenyl bromide |
| IUPAC Name | 1-bromo-3,5-difluorobenzene |
| InChI Key | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
4-tert-Butyl-2-nitrophenol 98.0+%, TCI America™
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CAS: 3279-07-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00191888 InChI Key: IHGNADPMUSNTJW-UHFFFAOYSA-N Synonym: 2-nitro-4-tert-butylphenol,4-tert-butyl-2-nitrophenol,phenol, 4-1,1-dimethylethyl-2-nitro,4-tert.-butyl-2-nitrophenol,acmc-209hvt,o-nitro-p-t-butyl-phenol,2-nitro-4-t-butyl phenol,4-t-butyl-2-nitro-phenol,4-t-butyl-2-nitrophenol PubChem CID: 18661 IUPAC Name: 4-tert-butyl-2-nitrophenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-]
| PubChem CID | 18661 |
|---|---|
| CAS | 3279-07-0 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD00191888 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| Synonym | 2-nitro-4-tert-butylphenol,4-tert-butyl-2-nitrophenol,phenol, 4-1,1-dimethylethyl-2-nitro,4-tert.-butyl-2-nitrophenol,acmc-209hvt,o-nitro-p-t-butyl-phenol,2-nitro-4-t-butyl phenol,4-t-butyl-2-nitro-phenol,4-t-butyl-2-nitrophenol |
| IUPAC Name | 4-tert-butyl-2-nitrophenol |
| InChI Key | IHGNADPMUSNTJW-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
2-Fluorobenzyl Cyanide 97.0+%, TCI America™
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CAS: 326-62-5 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD00001897 InChI Key: DAVJMKMVLKOQQC-UHFFFAOYSA-N Synonym: 2-fluorophenylacetonitrile,2-fluorobenzyl cyanide,2-2-fluorophenyl acetonitrile,benzeneacetonitrile, 2-fluoro,o-fluorophenylacetonitrile,o-fluorobenzyl cyanide,2-fluorophenyl acetonitrile,acetonitrile, o-fluorophenyl,2-2-fluorophenyl ethanenitrile,2-fluorobenzeneacetonitrile PubChem CID: 67592 IUPAC Name: 2-(2-fluorophenyl)acetonitrile SMILES: FC1=CC=CC=C1CC#N
| PubChem CID | 67592 |
|---|---|
| CAS | 326-62-5 |
| Molecular Weight (g/mol) | 135.14 |
| MDL Number | MFCD00001897 |
| SMILES | FC1=CC=CC=C1CC#N |
| Synonym | 2-fluorophenylacetonitrile,2-fluorobenzyl cyanide,2-2-fluorophenyl acetonitrile,benzeneacetonitrile, 2-fluoro,o-fluorophenylacetonitrile,o-fluorobenzyl cyanide,2-fluorophenyl acetonitrile,acetonitrile, o-fluorophenyl,2-2-fluorophenyl ethanenitrile,2-fluorobenzeneacetonitrile |
| IUPAC Name | 2-(2-fluorophenyl)acetonitrile |
| InChI Key | DAVJMKMVLKOQQC-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
4-Amino-N-methylbenzamide 98.0+%, TCI America™
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CAS: 6274-22-2 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 InChI Key: XAGFYNSCWICYPA-UHFFFAOYSA-N PubChem CID: 235516 IUPAC Name: 4-amino-N-methylbenzamide SMILES: CNC(=O)C1=CC=C(C=C1)N
| PubChem CID | 235516 |
|---|---|
| CAS | 6274-22-2 |
| Molecular Weight (g/mol) | 150.181 |
| SMILES | CNC(=O)C1=CC=C(C=C1)N |
| IUPAC Name | 4-amino-N-methylbenzamide |
| InChI Key | XAGFYNSCWICYPA-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
trans,trans-4-(3,4-Difluorophenyl)-4'-pentylbicyclohexyl 98.0+%, TCI America™
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CAS: 118164-51-5 Molecular Formula: C23H34F2 Molecular Weight (g/mol): 348.522 MDL Number: MFCD13182310 InChI Key: YDVUSMRUBCJGAV-UHFFFAOYSA-N Synonym: trans,trans-4-3,4-difluorophenyl-4'-pentyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-pentylbicyclohexyl,4-trans-4-trans-4-pentylcyclohexyl cyclohexyl-1,2-difluorobenzene,benzene, 1,2-difluoro-4-4'-pentyl 1,1'-bicyclohexyl-4-yl,1,2-difluoro-4-trans,trans-4'-pentyl 1,1'-bicyclohexyl-4-yl benzene,1,2-difluoro-4-4-4-pentylcyclohexyl cyclohexyl benzene,4-3,4-difluorophenyl-4'-pentyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-n-pentylbicyclohexyl,1r,1's,4r,4'r-4-3,4-difluorophenyl-4'-pentyl-1,1'-bi cyclohexane,trans,trans-4-pentylbicyclohexyl-3,4-difluorobenzene PubChem CID: 581521 IUPAC Name: 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
| PubChem CID | 581521 |
|---|---|
| CAS | 118164-51-5 |
| Molecular Weight (g/mol) | 348.522 |
| MDL Number | MFCD13182310 |
| SMILES | CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F |
| Synonym | trans,trans-4-3,4-difluorophenyl-4'-pentyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-pentylbicyclohexyl,4-trans-4-trans-4-pentylcyclohexyl cyclohexyl-1,2-difluorobenzene,benzene, 1,2-difluoro-4-4'-pentyl 1,1'-bicyclohexyl-4-yl,1,2-difluoro-4-trans,trans-4'-pentyl 1,1'-bicyclohexyl-4-yl benzene,1,2-difluoro-4-4-4-pentylcyclohexyl cyclohexyl benzene,4-3,4-difluorophenyl-4'-pentyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-n-pentylbicyclohexyl,1r,1's,4r,4'r-4-3,4-difluorophenyl-4'-pentyl-1,1'-bi cyclohexane,trans,trans-4-pentylbicyclohexyl-3,4-difluorobenzene |
| IUPAC Name | 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene |
| InChI Key | YDVUSMRUBCJGAV-UHFFFAOYSA-N |
| Molecular Formula | C23H34F2 |
Methyl 4-Bromo-3-methylbenzoate 97.0+%, TCI America™
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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 |