Benzenoids
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1,2-Bis(diphenylphosphino)benzene 98.0+%, TCI America™
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CAS: 13991-08-7 Molecular Formula: C30H24P2 Molecular Weight (g/mol): 446.47 MDL Number: MFCD00014081 InChI Key: NFRYVRNCDXULEX-UHFFFAOYSA-N Synonym: 1,2-bis diphenylphosphino benzene,dppbz,dppbe,dppben,dppbenz,o-bis diphenylphosphino benzene,1,2-bis dimethylphosphino benzene,o-phenylenebis diphenylphosphine,phosphine, phenylenebis diphenyl,1,2-bis diphenylphosphanyl benzene PubChem CID: 498379 IUPAC Name: [2-(diphenylphosphanyl)phenyl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 498379 |
|---|---|
| CAS | 13991-08-7 |
| Molecular Weight (g/mol) | 446.47 |
| MDL Number | MFCD00014081 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,2-bis diphenylphosphino benzene,dppbz,dppbe,dppben,dppbenz,o-bis diphenylphosphino benzene,1,2-bis dimethylphosphino benzene,o-phenylenebis diphenylphosphine,phosphine, phenylenebis diphenyl,1,2-bis diphenylphosphanyl benzene |
| IUPAC Name | [2-(diphenylphosphanyl)phenyl]diphenylphosphane |
| InChI Key | NFRYVRNCDXULEX-UHFFFAOYSA-N |
| Molecular Formula | C30H24P2 |
1-Benzyl-3-(dimethylamino)pyrrolidine 97.0+%, TCI America™
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CAS: 69478-77-9 Molecular Formula: C13H20N2 Molecular Weight (g/mol): 204.32 MDL Number: MFCD00191304 InChI Key: SOTUMZCQANFRAM-UHFFFAOYNA-N PubChem CID: 10013168 IUPAC Name: 1-benzyl-N,N-dimethylpyrrolidin-3-amine SMILES: CN(C)C1CCN(CC2=CC=CC=C2)C1
| PubChem CID | 10013168 |
|---|---|
| CAS | 69478-77-9 |
| Molecular Weight (g/mol) | 204.32 |
| MDL Number | MFCD00191304 |
| SMILES | CN(C)C1CCN(CC2=CC=CC=C2)C1 |
| IUPAC Name | 1-benzyl-N,N-dimethylpyrrolidin-3-amine |
| InChI Key | SOTUMZCQANFRAM-UHFFFAOYNA-N |
| Molecular Formula | C13H20N2 |
2,3,4-Trifluorobenzyl Bromide 98.0+%, TCI America™
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CAS: 157911-55-2 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00061233 InChI Key: DGSXDQVPGXFOAN-UHFFFAOYSA-N PubChem CID: 2777050 IUPAC Name: 1-(bromomethyl)-2,3,4-trifluorobenzene SMILES: C1=CC(=C(C(=C1CBr)F)F)F
| PubChem CID | 2777050 |
|---|---|
| CAS | 157911-55-2 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00061233 |
| SMILES | C1=CC(=C(C(=C1CBr)F)F)F |
| IUPAC Name | 1-(bromomethyl)-2,3,4-trifluorobenzene |
| InChI Key | DGSXDQVPGXFOAN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
3,3',4,5'-Tetramethoxypiceatannol 98.0+%, TCI America™
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CAS: 83088-26-0 Molecular Formula: C18H20O4 Molecular Weight (g/mol): 300.354 MDL Number: MFCD09033675 InChI Key: PTVAOGIYBMTHSN-AATRIKPKSA-N PubChem CID: 5387294 IUPAC Name: 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
| PubChem CID | 5387294 |
|---|---|
| CAS | 83088-26-0 |
| Molecular Weight (g/mol) | 300.354 |
| MDL Number | MFCD09033675 |
| SMILES | COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC |
| IUPAC Name | 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
| InChI Key | PTVAOGIYBMTHSN-AATRIKPKSA-N |
| Molecular Formula | C18H20O4 |
3,5-Dimethylbenzenethiol 97.0+%, TCI America™
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CAS: 38360-81-5 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.228 MDL Number: MFCD00040226 InChI Key: CESBAYSBPMVAEI-UHFFFAOYSA-N Synonym: 3,5-dimethylthiophenol,benzenethiol, 3,5-dimethyl,3,5-dimethylbenzene-1-thiol,3,5-dimethyl thiophenol,m-xylene-5-thiol,5-mercapto-m-xylene,3,5-xylenethiol,xylenethiol, mixed isomers,3,5dimethylthiophenol,pubchem6885 PubChem CID: 117548 IUPAC Name: 3,5-dimethylbenzenethiol SMILES: CC1=CC(=CC(=C1)S)C
| PubChem CID | 117548 |
|---|---|
| CAS | 38360-81-5 |
| Molecular Weight (g/mol) | 138.228 |
| MDL Number | MFCD00040226 |
| SMILES | CC1=CC(=CC(=C1)S)C |
| Synonym | 3,5-dimethylthiophenol,benzenethiol, 3,5-dimethyl,3,5-dimethylbenzene-1-thiol,3,5-dimethyl thiophenol,m-xylene-5-thiol,5-mercapto-m-xylene,3,5-xylenethiol,xylenethiol, mixed isomers,3,5dimethylthiophenol,pubchem6885 |
| IUPAC Name | 3,5-dimethylbenzenethiol |
| InChI Key | CESBAYSBPMVAEI-UHFFFAOYSA-N |
| Molecular Formula | C8H10S |
3-Amino-4-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 2840-26-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00002521 InChI Key: FDGAEAYZQQCBRN-UHFFFAOYSA-N Synonym: 3-amino-p-anisic acid,p-anisic acid, 3-amino,3-amino-4-methoxy-benzoic acid,3-amino-4-anisic acid,3-amino-4-methoxybenzoicacid,benzoic acid, 3-amino-4-methoxy,kyselina 3-amino-4-methoxybenzoova,3-amino-4-methoxybenzoic,5-carboxy-2-methoxyaniline,kyselina 3-amino-4-methoxybenzoova czech PubChem CID: 17823 IUPAC Name: 3-amino-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)N
| PubChem CID | 17823 |
|---|---|
| CAS | 2840-26-8 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00002521 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)N |
| Synonym | 3-amino-p-anisic acid,p-anisic acid, 3-amino,3-amino-4-methoxy-benzoic acid,3-amino-4-anisic acid,3-amino-4-methoxybenzoicacid,benzoic acid, 3-amino-4-methoxy,kyselina 3-amino-4-methoxybenzoova,3-amino-4-methoxybenzoic,5-carboxy-2-methoxyaniline,kyselina 3-amino-4-methoxybenzoova czech |
| IUPAC Name | 3-amino-4-methoxybenzoic acid |
| InChI Key | FDGAEAYZQQCBRN-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
2-(Trifluoromethoxy)phenylacetonitrile 95.0+%, TCI America™
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CAS: 137218-25-8 Molecular Formula: C9H6F3NO Molecular Weight (g/mol): 201.15 MDL Number: MFCD00236326 InChI Key: OIKWCWVMUBCXJM-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy phenylacetonitrile,2-triflnoromethoxybenzyl cyanide,2-2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxybenzyl cyanide,1 2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxy benzyl cyanide,2-trifluoromethoxybenzylcyanide,2-trifluoromethoxy-phenyl-acetonitrile,benzeneacetonitrile, 2-trifluoromethoxy PubChem CID: 2777321 IUPAC Name: 2-[2-(trifluoromethoxy)phenyl]acetonitrile SMILES: FC(F)(F)OC1=CC=CC=C1CC#N
| PubChem CID | 2777321 |
|---|---|
| CAS | 137218-25-8 |
| Molecular Weight (g/mol) | 201.15 |
| MDL Number | MFCD00236326 |
| SMILES | FC(F)(F)OC1=CC=CC=C1CC#N |
| Synonym | 2-trifluoromethoxy phenylacetonitrile,2-triflnoromethoxybenzyl cyanide,2-2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxybenzyl cyanide,1 2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxy benzyl cyanide,2-trifluoromethoxybenzylcyanide,2-trifluoromethoxy-phenyl-acetonitrile,benzeneacetonitrile, 2-trifluoromethoxy |
| IUPAC Name | 2-[2-(trifluoromethoxy)phenyl]acetonitrile |
| InChI Key | OIKWCWVMUBCXJM-UHFFFAOYSA-N |
| Molecular Formula | C9H6F3NO |
3,4-Dichlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 328-84-7 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000555 InChI Key: XILPLWOGHPSJBK-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzotrifluoride,1,2-dichloro-4-trifluoromethyl benzene,benzene, 1,2-dichloro-4-trifluoromethyl,3,4-dichloro-alpha,alpha,alpha-trifluorotoluene,3,4-dichlorotrifluoromethylbenzene,unii-7g60xcu4gg,3,4-dichlorophenyltrifluoromethane,7g60xcu4gg,3,4-dichloro-1-trifluoromethyl benzene,3,4-dcbte PubChem CID: 9481 IUPAC Name: 1,2-dichloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Cl
| PubChem CID | 9481 |
|---|---|
| CAS | 328-84-7 |
| Molecular Weight (g/mol) | 214.996 |
| MDL Number | MFCD00000555 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)Cl |
| Synonym | 3,4-dichlorobenzotrifluoride,1,2-dichloro-4-trifluoromethyl benzene,benzene, 1,2-dichloro-4-trifluoromethyl,3,4-dichloro-alpha,alpha,alpha-trifluorotoluene,3,4-dichlorotrifluoromethylbenzene,unii-7g60xcu4gg,3,4-dichlorophenyltrifluoromethane,7g60xcu4gg,3,4-dichloro-1-trifluoromethyl benzene,3,4-dcbte |
| IUPAC Name | 1,2-dichloro-4-(trifluoromethyl)benzene |
| InChI Key | XILPLWOGHPSJBK-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3 |
1-Bromo-2-fluoro-4-iodobenzene 97.0+%, TCI America™
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CAS: 136434-77-0 Molecular Formula: C6H3BrFI Molecular Weight (g/mol): 300.90 MDL Number: MFCD00042577 InChI Key: OCODJNASCDFXSR-UHFFFAOYSA-N Synonym: 4-bromo-3-fluoroiodobenzene,3-fluoro-4-bromo iodobenzene,1-bromo-2-fluoro-4-iodo-benzene,benzene, 1-bromo-2-fluoro-4-iodo,3-fluoro-4-bromo-iodobenzene,1-bromo-2-fluoro-4-i,pubchem3231,acmc-209c5x,3-fluoro-4-bromoiodobenzene,ksc490o1h PubChem CID: 2725006 IUPAC Name: 1-bromo-2-fluoro-4-iodobenzene SMILES: FC1=C(Br)C=CC(I)=C1
| PubChem CID | 2725006 |
|---|---|
| CAS | 136434-77-0 |
| Molecular Weight (g/mol) | 300.90 |
| MDL Number | MFCD00042577 |
| SMILES | FC1=C(Br)C=CC(I)=C1 |
| Synonym | 4-bromo-3-fluoroiodobenzene,3-fluoro-4-bromo iodobenzene,1-bromo-2-fluoro-4-iodo-benzene,benzene, 1-bromo-2-fluoro-4-iodo,3-fluoro-4-bromo-iodobenzene,1-bromo-2-fluoro-4-i,pubchem3231,acmc-209c5x,3-fluoro-4-bromoiodobenzene,ksc490o1h |
| IUPAC Name | 1-bromo-2-fluoro-4-iodobenzene |
| InChI Key | OCODJNASCDFXSR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrFI |
Benzylamine Hydrochloride 98.0+%, TCI America™
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CAS: 3287-99-8 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.614 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl
| PubChem CID | 2724127 |
|---|---|
| CAS | 3287-99-8 |
| Molecular Weight (g/mol) | 143.614 |
| MDL Number | MFCD00012852 |
| SMILES | C1=CC=C(C=C1)CN.Cl |
| Synonym | benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt |
| IUPAC Name | phenylmethanamine;hydrochloride |
| InChI Key | XKXHCNPAFAXVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClN |
2-Chlorophenyl Phosphorodichloridate 97.0+%, TCI America™
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3-Benzyloxyaniline 98.0+%, TCI America™
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CAS: 1484-26-0 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00007784 InChI Key: IGPFOKFDBICQMC-UHFFFAOYSA-N Synonym: 3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline PubChem CID: 92892 IUPAC Name: 3-phenylmethoxyaniline SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N
| PubChem CID | 92892 |
|---|---|
| CAS | 1484-26-0 |
| Molecular Weight (g/mol) | 199.253 |
| MDL Number | MFCD00007784 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)N |
| Synonym | 3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline |
| IUPAC Name | 3-phenylmethoxyaniline |
| InChI Key | IGPFOKFDBICQMC-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
p-Tolyl Isovalerate 98.0+%, TCI America™
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CAS: 55066-56-3 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00036648 InChI Key: MVDPTWHTUYDLTL-UHFFFAOYSA-N Synonym: Isovaleric Acid p-Tolyl Ester PubChem CID: 62092 IUPAC Name: (4-methylphenyl) 3-methylbutanoate SMILES: CC1=CC=C(C=C1)OC(=O)CC(C)C
| PubChem CID | 62092 |
|---|---|
| CAS | 55066-56-3 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00036648 |
| SMILES | CC1=CC=C(C=C1)OC(=O)CC(C)C |
| Synonym | Isovaleric Acid p-Tolyl Ester |
| IUPAC Name | (4-methylphenyl) 3-methylbutanoate |
| InChI Key | MVDPTWHTUYDLTL-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
1,5-Dinitronaphthalene 98.0+%, TCI America™
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CAS: 605-71-0 Molecular Formula: C10H6N2O4 Molecular Weight (g/mol): 218.168 MDL Number: MFCD00003916 InChI Key: ZUTCJXFCHHDFJS-UHFFFAOYSA-N Synonym: naphthalene, 1,5-dinitro,naphthalene, dinitro,unii-ui2s14iw4t,ccris 6028,ui2s14iw4t,napththalene, 1,5-dinitro,1,5 or 1,8-dinitronaphthalene,acmc-1bixi,1,5-dinitro naphthalene,1,5-dinitro-naphthalene PubChem CID: 11803 ChEBI: CHEBI:50640 IUPAC Name: 1,5-dinitronaphthalene SMILES: C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-]
| PubChem CID | 11803 |
|---|---|
| CAS | 605-71-0 |
| Molecular Weight (g/mol) | 218.168 |
| ChEBI | CHEBI:50640 |
| MDL Number | MFCD00003916 |
| SMILES | C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-] |
| Synonym | naphthalene, 1,5-dinitro,naphthalene, dinitro,unii-ui2s14iw4t,ccris 6028,ui2s14iw4t,napththalene, 1,5-dinitro,1,5 or 1,8-dinitronaphthalene,acmc-1bixi,1,5-dinitro naphthalene,1,5-dinitro-naphthalene |
| IUPAC Name | 1,5-dinitronaphthalene |
| InChI Key | ZUTCJXFCHHDFJS-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2O4 |
2-(Trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F
| PubChem CID | 9899 |
|---|---|
| CAS | 433-97-6 |
| Molecular Weight (g/mol) | 190.12 |
| ChEBI | CHEBI:60694 |
| MDL Number | MFCD00002476 |
| SMILES | OC(=O)C1=CC=CC=C1C(F)(F)F |
| Synonym | 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid |
| IUPAC Name | 2-(trifluoromethyl)benzoic acid |
| InChI Key | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |