Benzenoids
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Methyl 3-Methoxy-4-methylbenzoate 98.0+%, TCI America™
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CAS: 3556-83-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00082710 InChI Key: LLEXCSBUSVRBCA-UHFFFAOYSA-N Synonym: 3-methoxy-4-methylbenzoic acid methyl ester,methyl 3-methoxy-p-toluate,4-methyl-m-anisic acid methyl ester,benzoic acid, 3-methoxy-4-methyl-, methyl ester,pubchem13650,methyl 4-methyl-m-anisate,acmc-1cs22,methyl3-methoxy-4-methylbenzoate,methyl 3-methoxy-4-methyl-benzoate,3-methoxy-p-toluic acid methyl ester PubChem CID: 591123 IUPAC Name: methyl 3-methoxy-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)OC
| PubChem CID | 591123 |
|---|---|
| CAS | 3556-83-0 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00082710 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)OC |
| Synonym | 3-methoxy-4-methylbenzoic acid methyl ester,methyl 3-methoxy-p-toluate,4-methyl-m-anisic acid methyl ester,benzoic acid, 3-methoxy-4-methyl-, methyl ester,pubchem13650,methyl 4-methyl-m-anisate,acmc-1cs22,methyl3-methoxy-4-methylbenzoate,methyl 3-methoxy-4-methyl-benzoate,3-methoxy-p-toluic acid methyl ester |
| IUPAC Name | methyl 3-methoxy-4-methylbenzoate |
| InChI Key | LLEXCSBUSVRBCA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
beta-Bromostyrene (cis- and trans- mixture) 95.0+%, TCI America™
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CAS: 103-64-0 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000185 InChI Key: YMOONIIMQBGTDU-VOTSOKGWSA-N Synonym: 2-bromovinyl benzene,beta-bromostyrene,styryl bromide,2-bromoethenyl benzene,bromostyrolene,1-bromo-2-phenylethene,bromostyrol,bromstyrole,hyacinth base,1-bromo-2-phenylethylene PubChem CID: 5314126 IUPAC Name: [(E)-2-bromoethenyl]benzene SMILES: C1=CC=C(C=C1)C=CBr
| PubChem CID | 5314126 |
|---|---|
| CAS | 103-64-0 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000185 |
| SMILES | C1=CC=C(C=C1)C=CBr |
| Synonym | 2-bromovinyl benzene,beta-bromostyrene,styryl bromide,2-bromoethenyl benzene,bromostyrolene,1-bromo-2-phenylethene,bromostyrol,bromstyrole,hyacinth base,1-bromo-2-phenylethylene |
| IUPAC Name | [(E)-2-bromoethenyl]benzene |
| InChI Key | YMOONIIMQBGTDU-VOTSOKGWSA-N |
| Molecular Formula | C8H7Br |
6-Azido-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-norleucine 98.0+%, TCI America™
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CAS: 159610-89-6 Molecular Formula: C21H22N4O4 Molecular Weight (g/mol): 394.431 MDL Number: MFCD13182319 InChI Key: PJRFTUILPGJJIO-IBGZPJMESA-N Synonym: 6-Azido-N-Fmoc-L-norleucine PubChem CID: 25146063 IUPAC Name: (2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=[N+]=[N-])C(=O)O
| PubChem CID | 25146063 |
|---|---|
| CAS | 159610-89-6 |
| Molecular Weight (g/mol) | 394.431 |
| MDL Number | MFCD13182319 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=[N+]=[N-])C(=O)O |
| Synonym | 6-Azido-N-Fmoc-L-norleucine |
| IUPAC Name | (2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid |
| InChI Key | PJRFTUILPGJJIO-IBGZPJMESA-N |
| Molecular Formula | C21H22N4O4 |
alpha,alpha',2,3,5,6-Hexachloro-p-xylene 98.0+%, TCI America™
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CAS: 1079-17-0 Molecular Formula: C8H4Cl6 Molecular Weight (g/mol): 312.82 MDL Number: MFCD00000894 InChI Key: IYGDLOMSJZQSGY-UHFFFAOYSA-N PubChem CID: 66179 IUPAC Name: 1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl
| PubChem CID | 66179 |
|---|---|
| CAS | 1079-17-0 |
| Molecular Weight (g/mol) | 312.82 |
| MDL Number | MFCD00000894 |
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl |
| IUPAC Name | 1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene |
| InChI Key | IYGDLOMSJZQSGY-UHFFFAOYSA-N |
| Molecular Formula | C8H4Cl6 |
Tetrafluoroterephthalonitrile 98.0+%, TCI America™
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CAS: 1835-49-0 Molecular Formula: C8F4N2 Molecular Weight (g/mol): 200.096 MDL Number: MFCD00001776 InChI Key: PCRSJGWFEMHHEW-UHFFFAOYSA-N Synonym: tetrafluoroterephthalonitrile,2,3,5,6-tetrafluoroterephthalonitrile,diamond 2031,2,3,5,6-tetrafluoro-1,4-benzenedicarbonitrile,1,4-benzenedicarbonitrile, 2,3,5,6-tetrafluoro,1,4-dicyanotetrafluorobenzene,terephthalonitrile, tetrafluoro,perfluoroterephthalonitrile,tetrafluoroterephthalodinitrile,tetrafluorobenzene-1,4-dicarbonitrile PubChem CID: 15783 IUPAC Name: 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
| PubChem CID | 15783 |
|---|---|
| CAS | 1835-49-0 |
| Molecular Weight (g/mol) | 200.096 |
| MDL Number | MFCD00001776 |
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F |
| Synonym | tetrafluoroterephthalonitrile,2,3,5,6-tetrafluoroterephthalonitrile,diamond 2031,2,3,5,6-tetrafluoro-1,4-benzenedicarbonitrile,1,4-benzenedicarbonitrile, 2,3,5,6-tetrafluoro,1,4-dicyanotetrafluorobenzene,terephthalonitrile, tetrafluoro,perfluoroterephthalonitrile,tetrafluoroterephthalodinitrile,tetrafluorobenzene-1,4-dicarbonitrile |
| IUPAC Name | 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile |
| InChI Key | PCRSJGWFEMHHEW-UHFFFAOYSA-N |
| Molecular Formula | C8F4N2 |
3-Methyl-4-nitrobenzyl Alcohol 98.0+%, TCI America™
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CAS: 80866-75-7 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007171 InChI Key: KOVQGYQQVNCUBR-UHFFFAOYSA-N Synonym: 3-methyl-4-nitrobenzyl alcohol,3-methyl-4-nitrophenyl methanol,3-methyl-4-nitrobenzylalcohol,benzenemethanol, 3-methyl-4-nitro,acmc-20an0j,4-nitro-3-methylbenzyl alcohol,3-methyl-4-nitro-phenyl methanol,benzenemethanol,3-methyl-4-nitro,3-methyl-4-nitro-phenyl-methanol,3-methyl-4-nitrophenyl methanol # PubChem CID: 591360 IUPAC Name: (3-methyl-4-nitrophenyl)methanol SMILES: CC1=C(C=CC(=C1)CO)[N+](=O)[O-]
| PubChem CID | 591360 |
|---|---|
| CAS | 80866-75-7 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00007171 |
| SMILES | CC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
| Synonym | 3-methyl-4-nitrobenzyl alcohol,3-methyl-4-nitrophenyl methanol,3-methyl-4-nitrobenzylalcohol,benzenemethanol, 3-methyl-4-nitro,acmc-20an0j,4-nitro-3-methylbenzyl alcohol,3-methyl-4-nitro-phenyl methanol,benzenemethanol,3-methyl-4-nitro,3-methyl-4-nitro-phenyl-methanol,3-methyl-4-nitrophenyl methanol # |
| IUPAC Name | (3-methyl-4-nitrophenyl)methanol |
| InChI Key | KOVQGYQQVNCUBR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Mordant Blue 29, TCI America™
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CAS: 1667-99-8 Molecular Formula: C23H13Cl2Na3O9S Molecular Weight (g/mol): 605.277 MDL Number: MFCD00001615 InChI Key: FUIZKNBTOOKONL-UHFFFAOYSA-K Synonym: mordant blue 29,chromeazurol s,chrome azurol s,trisodium 5-3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene-2,6-dichloro-3-sulfonato-phenyl methyl-2-hydroxy-3-methyl-benzoate,trisodium 5-3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene-2,6-dichloro-3-sulfonatophenyl methyl-2-hydroxy-3-methylbenzoate PubChem CID: 54736314 IUPAC Name: trisodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
| PubChem CID | 54736314 |
|---|---|
| CAS | 1667-99-8 |
| Molecular Weight (g/mol) | 605.277 |
| MDL Number | MFCD00001615 |
| SMILES | CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| Synonym | mordant blue 29,chromeazurol s,chrome azurol s,trisodium 5-3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene-2,6-dichloro-3-sulfonato-phenyl methyl-2-hydroxy-3-methyl-benzoate,trisodium 5-3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene-2,6-dichloro-3-sulfonatophenyl methyl-2-hydroxy-3-methylbenzoate |
| IUPAC Name | trisodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate |
| InChI Key | FUIZKNBTOOKONL-UHFFFAOYSA-K |
| Molecular Formula | C23H13Cl2Na3O9S |
Pentafluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| MDL Number | MFCD01074663 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
| Formula Weight | 211.88 |
| Melting Point | 290°C |
2-Acetoxybenzonitrile 97.0+%, TCI America™
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CAS: 5715-02-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00017360 InChI Key: XXLKCUTUGWSJJO-UHFFFAOYSA-N PubChem CID: 79791 IUPAC Name: (2-cyanophenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C#N
| PubChem CID | 79791 |
|---|---|
| CAS | 5715-02-6 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00017360 |
| SMILES | CC(=O)OC1=CC=CC=C1C#N |
| IUPAC Name | (2-cyanophenyl) acetate |
| InChI Key | XXLKCUTUGWSJJO-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
2-Amino-5-bromobenzaldehyde 98.0+%, TCI America™
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CAS: 29124-57-0 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD10696879 InChI Key: VBYZWJMZASVGNB-UHFFFAOYSA-N Synonym: 2-amino-5-bromobenzenecarbaldehyde,5-bromoanthranilaldehyde,4-bromo-2-formylaniline,benzaldehyde,2-amino-5-bromo,benzaldehyde, 2-amino-5-bromo,pubchem19693,aminobromobenzenecarbaldehyde,2-amino-5-bromobenzaidehyde,2-amino-5-bromo-benzaldehyde PubChem CID: 23510475 IUPAC Name: 2-amino-5-bromobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)N
| PubChem CID | 23510475 |
|---|---|
| CAS | 29124-57-0 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD10696879 |
| SMILES | C1=CC(=C(C=C1Br)C=O)N |
| Synonym | 2-amino-5-bromobenzenecarbaldehyde,5-bromoanthranilaldehyde,4-bromo-2-formylaniline,benzaldehyde,2-amino-5-bromo,benzaldehyde, 2-amino-5-bromo,pubchem19693,aminobromobenzenecarbaldehyde,2-amino-5-bromobenzaidehyde,2-amino-5-bromo-benzaldehyde |
| IUPAC Name | 2-amino-5-bromobenzaldehyde |
| InChI Key | VBYZWJMZASVGNB-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
4-(4-Acetoxyphenyl)-2-butanone 96.0+%, TCI America™
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CAS: 3572-06-3 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00008704 InChI Key: UMIKWXDGXDJQJK-UHFFFAOYSA-N Synonym: 4-(3-Oxobutyl)phenyl Acetate, Acetic Acid 4-(3-Oxobutyl)phenyl Ester PubChem CID: 19137 IUPAC Name: [4-(3-oxobutyl)phenyl] acetate SMILES: CC(=O)CCC1=CC=C(C=C1)OC(=O)C
| PubChem CID | 19137 |
|---|---|
| CAS | 3572-06-3 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD00008704 |
| SMILES | CC(=O)CCC1=CC=C(C=C1)OC(=O)C |
| Synonym | 4-(3-Oxobutyl)phenyl Acetate, Acetic Acid 4-(3-Oxobutyl)phenyl Ester |
| IUPAC Name | [4-(3-oxobutyl)phenyl] acetate |
| InChI Key | UMIKWXDGXDJQJK-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
4-Hydroxybenzenesulfonamide 97.0+%, TCI America™
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CAS: 1576-43-8 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00059190 InChI Key: DIRCLGLKRZLKHG-UHFFFAOYSA-N Synonym: p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide PubChem CID: 74093 IUPAC Name: 4-hydroxybenzenesulfonamide SMILES: C1=CC(=CC=C1O)S(=O)(=O)N
| PubChem CID | 74093 |
|---|---|
| CAS | 1576-43-8 |
| Molecular Weight (g/mol) | 173.186 |
| MDL Number | MFCD00059190 |
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)N |
| Synonym | p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide |
| IUPAC Name | 4-hydroxybenzenesulfonamide |
| InChI Key | DIRCLGLKRZLKHG-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
1,1-Diphenyl-2-propyn-1-ol 97.0+%, TCI America™
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CAS: 3923-52-2 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00041570 InChI Key: SMCLTAARQYTXLW-UHFFFAOYSA-N Synonym: 1,1-diphenyl-2-propyn-1-ol,diphenylethinylcarbinol,ethynyldiphenylmethanol,1,1-diphenylpropargyl alcohol,diphenylethynylcarbinol,3,3-diphenyl-3-hydroxy-1-propyne,benzenemethanol, .alpha.-ethynyl-.alpha.-phenyl,2-propyn-1-ol, 1,1-diphenyl,benzenemethanol, alpha-ethynyl-alpha-phenyl,benzenemethanol, a-ethynyl-a-phenyl PubChem CID: 92976 IUPAC Name: 1,1-diphenylprop-2-yn-1-ol SMILES: OC(C#C)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 92976 |
|---|---|
| CAS | 3923-52-2 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00041570 |
| SMILES | OC(C#C)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,1-diphenyl-2-propyn-1-ol,diphenylethinylcarbinol,ethynyldiphenylmethanol,1,1-diphenylpropargyl alcohol,diphenylethynylcarbinol,3,3-diphenyl-3-hydroxy-1-propyne,benzenemethanol, .alpha.-ethynyl-.alpha.-phenyl,2-propyn-1-ol, 1,1-diphenyl,benzenemethanol, alpha-ethynyl-alpha-phenyl,benzenemethanol, a-ethynyl-a-phenyl |
| IUPAC Name | 1,1-diphenylprop-2-yn-1-ol |
| InChI Key | SMCLTAARQYTXLW-UHFFFAOYSA-N |
| Molecular Formula | C15H12O |
4-(2-Hydroxyethoxy)salicylic Acid 97.0+%, TCI America™
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CAS: 163451-82-9 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00143215 InChI Key: INEIMLMPQGJCGK-UHFFFAOYSA-N Synonym: 2-Hydroxy-4-(2-hydroxyethoxy)benzoic Acid PubChem CID: 586463 IUPAC Name: 2-hydroxy-4-(2-hydroxyethoxy)benzoic acid SMILES: C1=CC(=C(C=C1OCCO)O)C(=O)O
| PubChem CID | 586463 |
|---|---|
| CAS | 163451-82-9 |
| Molecular Weight (g/mol) | 198.174 |
| MDL Number | MFCD00143215 |
| SMILES | C1=CC(=C(C=C1OCCO)O)C(=O)O |
| Synonym | 2-Hydroxy-4-(2-hydroxyethoxy)benzoic Acid |
| IUPAC Name | 2-hydroxy-4-(2-hydroxyethoxy)benzoic acid |
| InChI Key | INEIMLMPQGJCGK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
(R)-4-Benzyloxy-1,3-butanediol 96.0+%, TCI America™
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CAS: 81096-93-7 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: ZVVBUAFZGGHYAO-LLVKDONJSA-N PubChem CID: 11052557 IUPAC Name: (3R)-4-phenylmethoxybutane-1,3-diol SMILES: C1=CC=C(C=C1)COCC(CCO)O
| PubChem CID | 11052557 |
|---|---|
| CAS | 81096-93-7 |
| Molecular Weight (g/mol) | 196.246 |
| SMILES | C1=CC=C(C=C1)COCC(CCO)O |
| IUPAC Name | (3R)-4-phenylmethoxybutane-1,3-diol |
| InChI Key | ZVVBUAFZGGHYAO-LLVKDONJSA-N |
| Molecular Formula | C11H16O3 |