Benzenoids
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Diallyl Phthalate 98.0+%, TCI America™
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CAS: 131-17-9 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00008646 InChI Key: QUDWYFHPNIMBFC-UHFFFAOYSA-N Synonym: diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st PubChem CID: 8560 IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
| PubChem CID | 8560 |
|---|---|
| CAS | 131-17-9 |
| Molecular Weight (g/mol) | 246.262 |
| MDL Number | MFCD00008646 |
| SMILES | C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C |
| Synonym | diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st |
| IUPAC Name | bis(prop-2-enyl) benzene-1,2-dicarboxylate |
| InChI Key | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
3-Bromobenzohydrazide 98.0+%, TCI America™
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CAS: 39115-96-3 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00007600 InChI Key: BNAQRAZIPAHWAR-UHFFFAOYSA-N Synonym: 3-bromobenzhydrazide,m-bromobenzohydrazide,3-bromobenzoic hydrazide,benzoic acid, 3-bromo-, hydrazide,3-bromobenzoic acid hydrazide,3-bromobenzoylhydrazine,benzoylhydrazine, m-bromo,3-bromo-benzoic acid hydrazide,3-bromobenzenecarbohydrazide,3-bromanylbenzohydrazide PubChem CID: 520941 IUPAC Name: 3-bromobenzohydrazide SMILES: C1=CC(=CC(=C1)Br)C(=O)NN
| PubChem CID | 520941 |
|---|---|
| CAS | 39115-96-3 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00007600 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NN |
| Synonym | 3-bromobenzhydrazide,m-bromobenzohydrazide,3-bromobenzoic hydrazide,benzoic acid, 3-bromo-, hydrazide,3-bromobenzoic acid hydrazide,3-bromobenzoylhydrazine,benzoylhydrazine, m-bromo,3-bromo-benzoic acid hydrazide,3-bromobenzenecarbohydrazide,3-bromanylbenzohydrazide |
| IUPAC Name | 3-bromobenzohydrazide |
| InChI Key | BNAQRAZIPAHWAR-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN2O |
2,4-Dichloro-5-nitrobenzotrifluoride 98.0+%, TCI America™
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CAS: 400-70-4 Molecular Formula: C7H2Cl2F3NO2 Molecular Weight (g/mol): 259.993 MDL Number: MFCD00007073 InChI Key: VLVNHMVSVDVAOA-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-nitrobenzotrifluoride,1,5-dichloro-2-nitro-4-trifluoromethyl benzene,2,4-dichloro-3,5-nitrobenzotrifluoride,benzene, 1,5-dichloro-2-nitro-4-trifluoromethyl,2,4-dichloro-5-trifluoromethyl-1-nitrobenzene,pubchem4862,2,4-dichloro-5-nitro benzotrifluoride,3-trifluoromethyl-4,6-dichloronitrobenzene,2,4-dichloro-5-trifluoromethyl nitrobenzene PubChem CID: 621179 IUPAC Name: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)C(F)(F)F
| PubChem CID | 621179 |
|---|---|
| CAS | 400-70-4 |
| Molecular Weight (g/mol) | 259.993 |
| MDL Number | MFCD00007073 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)C(F)(F)F |
| Synonym | 2,4-dichloro-5-nitrobenzotrifluoride,1,5-dichloro-2-nitro-4-trifluoromethyl benzene,2,4-dichloro-3,5-nitrobenzotrifluoride,benzene, 1,5-dichloro-2-nitro-4-trifluoromethyl,2,4-dichloro-5-trifluoromethyl-1-nitrobenzene,pubchem4862,2,4-dichloro-5-nitro benzotrifluoride,3-trifluoromethyl-4,6-dichloronitrobenzene,2,4-dichloro-5-trifluoromethyl nitrobenzene |
| IUPAC Name | 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene |
| InChI Key | VLVNHMVSVDVAOA-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl2F3NO2 |
1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene 98.0+%, TCI America™
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CAS: 117943-37-0 Molecular Formula: C23H34F2 Molecular Weight (g/mol): 348.52 MDL Number: MFCD12828126 InChI Key: HTAPXFSKUGZEEP-UHFFFAOYSA-N PubChem CID: 587775 IUPAC Name: 1,2-difluoro-4-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene SMILES: CCCC1CCC(CCC2CCC(CC2)C2=CC(F)=C(F)C=C2)CC1
| PubChem CID | 587775 |
|---|---|
| CAS | 117943-37-0 |
| Molecular Weight (g/mol) | 348.52 |
| MDL Number | MFCD12828126 |
| SMILES | CCCC1CCC(CCC2CCC(CC2)C2=CC(F)=C(F)C=C2)CC1 |
| IUPAC Name | 1,2-difluoro-4-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene |
| InChI Key | HTAPXFSKUGZEEP-UHFFFAOYSA-N |
| Molecular Formula | C23H34F2 |
4-Fluorobenzoyl Chloride 97.0+%, TCI America™
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CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F
| PubChem CID | 67879 |
|---|---|
| CAS | 403-43-0 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00000684 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)F |
| Synonym | benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride |
| IUPAC Name | 4-fluorobenzoyl chloride |
| InChI Key | CZKLEJHVLCMVQR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
Dansyl Hydrazine 97.0+%, TCI America™
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CAS: 33008-06-9 Molecular Formula: C12H15N3O2S Molecular Weight (g/mol): 265.33 MDL Number: MFCD00003986 InChI Key: KPQYDVAFRDWIBW-UHFFFAOYSA-N Synonym: 5-Dimethylaminonaphthalene-1-sulfonyl Hydrazine PubChem CID: 94442 IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonohydrazide SMILES: CN(C)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NN
| PubChem CID | 94442 |
|---|---|
| CAS | 33008-06-9 |
| Molecular Weight (g/mol) | 265.33 |
| MDL Number | MFCD00003986 |
| SMILES | CN(C)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NN |
| Synonym | 5-Dimethylaminonaphthalene-1-sulfonyl Hydrazine |
| IUPAC Name | 5-(dimethylamino)naphthalene-1-sulfonohydrazide |
| InChI Key | KPQYDVAFRDWIBW-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O2S |
Methyl 3-Bromo-4-methylbenzoate 98.0+%, TCI America™
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CAS: 104901-43-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00144769 InChI Key: MASRAGFWFYHMFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoic acid methyl ester,methyl 3-bromo-p-toluate,methyl3-bromo-4-methylbenzoate,benzoic acid, 3-bromo-4-methyl-, methyl ester,3-bromo-p-toluic acid methyl ester,3-bromo-4-methyl methyl benzoate,3-bromo-4-methyl-benzoic acid methyl ester,pubchem3967,acmc-2098dw,methyl 3-bromo4-methylbenzoate PubChem CID: 7015747 IUPAC Name: methyl 3-bromo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)Br
| PubChem CID | 7015747 |
|---|---|
| CAS | 104901-43-1 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00144769 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)Br |
| Synonym | 3-bromo-4-methylbenzoic acid methyl ester,methyl 3-bromo-p-toluate,methyl3-bromo-4-methylbenzoate,benzoic acid, 3-bromo-4-methyl-, methyl ester,3-bromo-p-toluic acid methyl ester,3-bromo-4-methyl methyl benzoate,3-bromo-4-methyl-benzoic acid methyl ester,pubchem3967,acmc-2098dw,methyl 3-bromo4-methylbenzoate |
| IUPAC Name | methyl 3-bromo-4-methylbenzoate |
| InChI Key | MASRAGFWFYHMFI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
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 |
3,7-Dihydroxy-2-naphthoic Acid 90.0+%, TCI America™
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1,3,5-Tris(4-bromophenyl)benzene 98.0+%, TCI America™
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CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
| PubChem CID | 232761 |
|---|---|
| CAS | 7511-49-1 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD00362911 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br |
| Synonym | 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' |
| IUPAC Name | 1,3,5-tris(4-bromophenyl)benzene |
| InChI Key | HJQRITCAXSBOPC-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
Diphenyl Carbonate 99.0+%, TCI America™
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CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00003037 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| MDL Number | MFCD00003037 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
2-Hydroxy-4-methylbenzophenone 97.0+%, TCI America™
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CAS: 3098-18-8 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD01099035 InChI Key: KIZCNUWGIVQQBK-UHFFFAOYSA-N PubChem CID: 137824 IUPAC Name: 2-benzoyl-5-methylphenol SMILES: CC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1
| PubChem CID | 137824 |
|---|---|
| CAS | 3098-18-8 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD01099035 |
| SMILES | CC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 |
| IUPAC Name | 2-benzoyl-5-methylphenol |
| InChI Key | KIZCNUWGIVQQBK-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Chloro-1-naphthol 98.0+%, TCI America™
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CAS: 604-44-4 Molecular Formula: C10H7ClO Molecular Weight (g/mol): 178.615 MDL Number: MFCD00003974 InChI Key: LVSPDZAGCBEQAV-UHFFFAOYSA-N Synonym: 4-chloro-1-naphthol,1-chloro-4-hydroxynaphthalene,1-naphthalenol, 4-chloro,4-chloro-1-naphthalenol,1-naphthol, 4-chloro,4-chloronaphthol,4-chloro-.alpha.-naphthol,4-chloro-1-hydroxynaphthalene,4-chloro-alpha-naphthol,acmc-20amm7 PubChem CID: 11787 IUPAC Name: 4-chloronaphthalen-1-ol SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)O
| PubChem CID | 11787 |
|---|---|
| CAS | 604-44-4 |
| Molecular Weight (g/mol) | 178.615 |
| MDL Number | MFCD00003974 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)O |
| Synonym | 4-chloro-1-naphthol,1-chloro-4-hydroxynaphthalene,1-naphthalenol, 4-chloro,4-chloro-1-naphthalenol,1-naphthol, 4-chloro,4-chloronaphthol,4-chloro-.alpha.-naphthol,4-chloro-1-hydroxynaphthalene,4-chloro-alpha-naphthol,acmc-20amm7 |
| IUPAC Name | 4-chloronaphthalen-1-ol |
| InChI Key | LVSPDZAGCBEQAV-UHFFFAOYSA-N |
| Molecular Formula | C10H7ClO |
1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine 98.0+%, TCI America™
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CAS: 928830-73-3 Molecular Formula: C11H13FN4O4 Molecular Weight (g/mol): 284.25 MDL Number: MFCD10000959 InChI Key: SSBAFRIGYXRBRK-UHFFFAOYSA-N Synonym: PPZ PubChem CID: 16223480 IUPAC Name: 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine SMILES: CN1CCN(CC1)C1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 16223480 |
|---|---|
| CAS | 928830-73-3 |
| Molecular Weight (g/mol) | 284.25 |
| MDL Number | MFCD10000959 |
| SMILES | CN1CCN(CC1)C1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | PPZ |
| IUPAC Name | 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine |
| InChI Key | SSBAFRIGYXRBRK-UHFFFAOYSA-N |
| Molecular Formula | C11H13FN4O4 |
Tetrabutylammonium Salicylate 98.0+%, TCI America™
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CAS: 22307-72-8 Molecular Formula: C23H41NO3 Molecular Weight (g/mol): 379.585 MDL Number: MFCD00145388 InChI Key: ZWRWGKGPUFESNE-UHFFFAOYSA-M PubChem CID: 54707142 IUPAC Name: 2-carboxyphenolate;tetrabutylazanium SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)[O-]
| PubChem CID | 54707142 |
|---|---|
| CAS | 22307-72-8 |
| Molecular Weight (g/mol) | 379.585 |
| MDL Number | MFCD00145388 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)[O-] |
| IUPAC Name | 2-carboxyphenolate;tetrabutylazanium |
| InChI Key | ZWRWGKGPUFESNE-UHFFFAOYSA-M |
| Molecular Formula | C23H41NO3 |