Benzenoids
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Hexyl 4-Hydroxybenzoate 98.0+%, TCI America™
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CAS: 1083-27-8 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00016480 InChI Key: ULULAZKOCFNOIM-UHFFFAOYSA-N Synonym: Hexylparaben, 4-Hydroxybenzoic Acid Hexyl Ester PubChem CID: 14127 IUPAC Name: hexyl 4-hydroxybenzoate SMILES: CCCCCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 14127 |
|---|---|
| CAS | 1083-27-8 |
| Molecular Weight (g/mol) | 222.284 |
| MDL Number | MFCD00016480 |
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | Hexylparaben, 4-Hydroxybenzoic Acid Hexyl Ester |
| IUPAC Name | hexyl 4-hydroxybenzoate |
| InChI Key | ULULAZKOCFNOIM-UHFFFAOYSA-N |
| Molecular Formula | C13H18O3 |
5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole 98.0+%, TCI America™
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CAS: 13980-76-2 Molecular Formula: C8H8N4OS Molecular Weight (g/mol): 208.239 MDL Number: MFCD01321180 InChI Key: UFALKIBIWOKBDL-UHFFFAOYSA-N Synonym: 1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol PubChem CID: 695766 IUPAC Name: 1-(4-methoxyphenyl)-2H-tetrazole-5-thione SMILES: COC1=CC=C(C=C1)N2C(=S)N=NN2
| PubChem CID | 695766 |
|---|---|
| CAS | 13980-76-2 |
| Molecular Weight (g/mol) | 208.239 |
| MDL Number | MFCD01321180 |
| SMILES | COC1=CC=C(C=C1)N2C(=S)N=NN2 |
| Synonym | 1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol |
| IUPAC Name | 1-(4-methoxyphenyl)-2H-tetrazole-5-thione |
| InChI Key | UFALKIBIWOKBDL-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4OS |
Sodium 2,4-Dimethylbenzenesulfonate Monohydrate 98.0+%, TCI America™
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CAS: 142063-30-7 Molecular Formula: C8H11NaO4S Molecular Weight (g/mol): 226.222 MDL Number: MFCD00041883 InChI Key: LAOKFSDVOMOLJF-UHFFFAOYSA-M Synonym: 2,4-Dimethylbenzenesulfonic Acid Sodium Salt, Sodium m-Xylene-4-sulfonate, m-Xylene-4-sulfonic Acid Sodium Salt PubChem CID: 70700101 IUPAC Name: sodium;2,4-dimethylbenzenesulfonate;hydrate SMILES: CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+]
| PubChem CID | 70700101 |
|---|---|
| CAS | 142063-30-7 |
| Molecular Weight (g/mol) | 226.222 |
| MDL Number | MFCD00041883 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+] |
| Synonym | 2,4-Dimethylbenzenesulfonic Acid Sodium Salt, Sodium m-Xylene-4-sulfonate, m-Xylene-4-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;2,4-dimethylbenzenesulfonate;hydrate |
| InChI Key | LAOKFSDVOMOLJF-UHFFFAOYSA-M |
| Molecular Formula | C8H11NaO4S |
Biphenyl-4-carboxylic Acid 98.0+%, TCI America™
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CAS: 92-92-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002553 InChI Key: NNJMFJSKMRYHSR-UHFFFAOYSA-N Synonym: 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl PubChem CID: 66724 IUPAC Name: 4-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 66724 |
|---|---|
| CAS | 92-92-2 |
| Molecular Weight (g/mol) | 198.221 |
| MDL Number | MFCD00002553 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl |
| IUPAC Name | 4-phenylbenzoic acid |
| InChI Key | NNJMFJSKMRYHSR-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
4,5-Difluorophthalonitrile 95.0+%, TCI America™
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CAS: 134450-56-9 Molecular Formula: C8H2F2N2 Molecular Weight (g/mol): 164.115 InChI Key: KNDUBEZZKOOYMJ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4,5-difluorobenzene PubChem CID: 11960962 IUPAC Name: 4,5-difluorobenzene-1,2-dicarbonitrile SMILES: C1=C(C(=CC(=C1F)F)C#N)C#N
| PubChem CID | 11960962 |
|---|---|
| CAS | 134450-56-9 |
| Molecular Weight (g/mol) | 164.115 |
| SMILES | C1=C(C(=CC(=C1F)F)C#N)C#N |
| Synonym | 1,2-Dicyano-4,5-difluorobenzene |
| IUPAC Name | 4,5-difluorobenzene-1,2-dicarbonitrile |
| InChI Key | KNDUBEZZKOOYMJ-UHFFFAOYSA-N |
| Molecular Formula | C8H2F2N2 |
1-Anthracenecarboxylic Acid 99.0+%, TCI America™
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CAS: 607-42-1 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00142583 InChI Key: CCFAKBRKTKVJPO-UHFFFAOYSA-N PubChem CID: 150789 ChEBI: CHEBI:38994 IUPAC Name: anthracene-1-carboxylic acid SMILES: OC(=O)C1=C2C=C3C=CC=CC3=CC2=CC=C1
| PubChem CID | 150789 |
|---|---|
| CAS | 607-42-1 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:38994 |
| MDL Number | MFCD00142583 |
| SMILES | OC(=O)C1=C2C=C3C=CC=CC3=CC2=CC=C1 |
| IUPAC Name | anthracene-1-carboxylic acid |
| InChI Key | CCFAKBRKTKVJPO-UHFFFAOYSA-N |
| Molecular Formula | C15H10O2 |
Cholesterol Benzoate 96.0+%, TCI America™
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CAS: 604-32-0 Molecular Formula: C34H50O2 Molecular Weight (g/mol): 490.77 MDL Number: MFCD00003635 InChI Key: UVZUFUGNHDDLRQ-UHFFFAOYNA-N Synonym: cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate PubChem CID: 2723613 IUPAC Name: 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl benzoate SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1
| PubChem CID | 2723613 |
|---|---|
| CAS | 604-32-0 |
| Molecular Weight (g/mol) | 490.77 |
| MDL Number | MFCD00003635 |
| SMILES | CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1 |
| Synonym | cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate |
| IUPAC Name | 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl benzoate |
| InChI Key | UVZUFUGNHDDLRQ-UHFFFAOYNA-N |
| Molecular Formula | C34H50O2 |
Chloromethyl p-Tolyl Sulfide 96.0+%, TCI America™
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CAS: 34125-84-3 Molecular Formula: C8H9ClS Molecular Weight (g/mol): 172.67 MDL Number: MFCD01318451 InChI Key: VFQYMJYUSRAJCZ-UHFFFAOYSA-N Synonym: 4-(Chloromethylthio)toluene, p-Tolyl Chloromethyl Sulfide PubChem CID: 1502059 IUPAC Name: 1-[(chloromethyl)sulfanyl]-4-methylbenzene SMILES: CC1=CC=C(SCCl)C=C1
| PubChem CID | 1502059 |
|---|---|
| CAS | 34125-84-3 |
| Molecular Weight (g/mol) | 172.67 |
| MDL Number | MFCD01318451 |
| SMILES | CC1=CC=C(SCCl)C=C1 |
| Synonym | 4-(Chloromethylthio)toluene, p-Tolyl Chloromethyl Sulfide |
| IUPAC Name | 1-[(chloromethyl)sulfanyl]-4-methylbenzene |
| InChI Key | VFQYMJYUSRAJCZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClS |
1-Bromo-3,5-dimethoxybenzene 98.0+%, TCI America™
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CAS: 20469-65-2 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD06200685 InChI Key: KRWRFIMBWRVMKE-UHFFFAOYSA-N Synonym: 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l PubChem CID: 639187 IUPAC Name: 1-bromo-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(Br)=C1
| PubChem CID | 639187 |
|---|---|
| CAS | 20469-65-2 |
| Molecular Weight (g/mol) | 217.06 |
| MDL Number | MFCD06200685 |
| SMILES | COC1=CC(OC)=CC(Br)=C1 |
| Synonym | 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l |
| IUPAC Name | 1-bromo-3,5-dimethoxybenzene |
| InChI Key | KRWRFIMBWRVMKE-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
4-Fluoro-3-formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2778651 |
|---|---|
| CAS | 374538-01-9 |
| Molecular Weight (g/mol) | 167.93 |
| MDL Number | MFCD02093074 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=C(C=C1)F)C=O)(O)O |
| TSCA | No |
| IUPAC Name | (4-fluoro-3-formylphenyl)boronic acid |
| InChI Key | YABSTJQEBSKPCG-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO3 |
| Formula Weight | 167.93 |
| Melting Point | 220°C |
2-Bromo-4-fluorophenol 98.0+%, TCI America™
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CAS: 496-69-5 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD00010614 InChI Key: MEYRABVEYCFHHB-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoro-phenol,phenol, 2-bromo-4-fluoro,4-fluoro-2-bromo phenol,pubchem1485,2-bromo-4-flourophenol,2-bromo4-fluoro-phenol,acmc-1artu,2-bromo-4-fluoro phenol,ksc490k9b,akos akm01586 PubChem CID: 605472 IUPAC Name: 2-bromo-4-fluorophenol SMILES: C1=CC(=C(C=C1F)Br)O
| PubChem CID | 605472 |
|---|---|
| CAS | 496-69-5 |
| Molecular Weight (g/mol) | 190.999 |
| MDL Number | MFCD00010614 |
| SMILES | C1=CC(=C(C=C1F)Br)O |
| Synonym | 2-bromo-4-fluoro-phenol,phenol, 2-bromo-4-fluoro,4-fluoro-2-bromo phenol,pubchem1485,2-bromo-4-flourophenol,2-bromo4-fluoro-phenol,acmc-1artu,2-bromo-4-fluoro phenol,ksc490k9b,akos akm01586 |
| IUPAC Name | 2-bromo-4-fluorophenol |
| InChI Key | MEYRABVEYCFHHB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFO |
4-Isopropoxyaniline 98.0+%, TCI America™
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CAS: 7664-66-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00059188 InChI Key: MLNFMFAMNBGAQT-UHFFFAOYSA-N PubChem CID: 82112 IUPAC Name: 4-propan-2-yloxyaniline SMILES: CC(C)OC1=CC=C(C=C1)N
| PubChem CID | 82112 |
|---|---|
| CAS | 7664-66-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00059188 |
| SMILES | CC(C)OC1=CC=C(C=C1)N |
| IUPAC Name | 4-propan-2-yloxyaniline |
| InChI Key | MLNFMFAMNBGAQT-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
1,2-Dimethoxybenzene 99.0+%, TCI America™
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CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC
| PubChem CID | 7043 |
|---|---|
| CAS | 91-16-7 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:59114 |
| MDL Number | MFCD00008357 |
| SMILES | COC1=CC=CC=C1OC |
| Synonym | veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy |
| IUPAC Name | 1,2-dimethoxybenzene |
| InChI Key | ABDKAPXRBAPSQN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-(Trifluoromethoxy)benzyl Alcohol 96.0+%, TCI America™
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CAS: 175278-07-6 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.14 MDL Number: MFCD00153285 InChI Key: ICOVMLDFMWLRJO-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282 PubChem CID: 2777245 IUPAC Name: [2-(trifluoromethoxy)phenyl]methanol SMILES: OCC1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777245 |
|---|---|
| CAS | 175278-07-6 |
| Molecular Weight (g/mol) | 192.14 |
| MDL Number | MFCD00153285 |
| SMILES | OCC1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282 |
| IUPAC Name | [2-(trifluoromethoxy)phenyl]methanol |
| InChI Key | ICOVMLDFMWLRJO-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O2 |
4-(4-Chlorophenoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 61343-99-5 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD01631895 InChI Key: BLCXBCYVCDPFEU-UHFFFAOYSA-N Synonym: 4-4-chlorophenoxy benzaldehyde,4-chloro-4'-formyldiphenyl ether,acmc-1b4h0,4-4-chlorophoxy benzaldehyde,blcxbcyvcdpfeu-uhfffaoysa,4-4-chloranylphenoxy benzaldehyde,benzaldehyde,4-4-chlorophenoxy PubChem CID: 3851764 IUPAC Name: 4-(4-chlorophenoxy)benzaldehyde SMILES: ClC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1
| PubChem CID | 3851764 |
|---|---|
| CAS | 61343-99-5 |
| Molecular Weight (g/mol) | 232.66 |
| MDL Number | MFCD01631895 |
| SMILES | ClC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1 |
| Synonym | 4-4-chlorophenoxy benzaldehyde,4-chloro-4'-formyldiphenyl ether,acmc-1b4h0,4-4-chlorophoxy benzaldehyde,blcxbcyvcdpfeu-uhfffaoysa,4-4-chloranylphenoxy benzaldehyde,benzaldehyde,4-4-chlorophenoxy |
| IUPAC Name | 4-(4-chlorophenoxy)benzaldehyde |
| InChI Key | BLCXBCYVCDPFEU-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO2 |