Benzenoids
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2,3-Dichloro-1,4-naphthoquinone 95.0+%, TCI America™
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CAS: 117-80-6 Molecular Formula: C10H4Cl2O2 Molecular Weight (g/mol): 227.04 MDL Number: MFCD00001677 InChI Key: SVPKNMBRVBMTLB-UHFFFAOYSA-N Synonym: 2,3-dichloro-1,4-naphthoquinone,dichlone,diclone,2,3-dichloronaphthoquinone,phygon,algistat,sanquinon,uniroyal,phygon paste,dichloronaphthoquinone PubChem CID: 8342 IUPAC Name: 2,3-dichloro-1,4-dihydronaphthalene-1,4-dione SMILES: ClC1=C(Cl)C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 8342 |
|---|---|
| CAS | 117-80-6 |
| Molecular Weight (g/mol) | 227.04 |
| MDL Number | MFCD00001677 |
| SMILES | ClC1=C(Cl)C(=O)C2=CC=CC=C2C1=O |
| Synonym | 2,3-dichloro-1,4-naphthoquinone,dichlone,diclone,2,3-dichloronaphthoquinone,phygon,algistat,sanquinon,uniroyal,phygon paste,dichloronaphthoquinone |
| IUPAC Name | 2,3-dichloro-1,4-dihydronaphthalene-1,4-dione |
| InChI Key | SVPKNMBRVBMTLB-UHFFFAOYSA-N |
| Molecular Formula | C10H4Cl2O2 |
2-Hydroxyethyl Salicylate 98.0+%, TCI America™
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CAS: 87-28-5 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002862 InChI Key: LVYLCBNXHHHPSB-UHFFFAOYSA-N Synonym: 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont PubChem CID: 6880 ChEBI: CHEBI:86541 IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate SMILES: OCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 6880 |
|---|---|
| CAS | 87-28-5 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:86541 |
| MDL Number | MFCD00002862 |
| SMILES | OCCOC(=O)C1=CC=CC=C1O |
| Synonym | 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont |
| IUPAC Name | 2-hydroxyethyl 2-hydroxybenzoate |
| InChI Key | LVYLCBNXHHHPSB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
1,3-Di(o-tolyl)thiourea 98.0+%, TCI America™
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CAS: 137-97-3 Molecular Formula: C15H16N2S Molecular Weight (g/mol): 256.37 MDL Number: MFCD00025922 InChI Key: KWPNNZKRAQDVPZ-UHFFFAOYSA-N Synonym: di-o-tolylthiourea,1,3-di o-tolyl thiourea,1,3-di-o-tolylthiourea,n,n'-di-o-tolylthiourea,1,3-di-o-tolyl-2-thiourea,di-o-toluylthiourea,1,3-bis o-tolyl thiourea,n,n'-bis 2-methylphenyl thiourea,2,2'-dimethylthiocarbanilide,usaf ek-1651 PubChem CID: 688028 IUPAC Name: 1,3-bis(2-methylphenyl)thiourea SMILES: CC1=CC=CC=C1NC(=S)NC1=CC=CC=C1C
| PubChem CID | 688028 |
|---|---|
| CAS | 137-97-3 |
| Molecular Weight (g/mol) | 256.37 |
| MDL Number | MFCD00025922 |
| SMILES | CC1=CC=CC=C1NC(=S)NC1=CC=CC=C1C |
| Synonym | di-o-tolylthiourea,1,3-di o-tolyl thiourea,1,3-di-o-tolylthiourea,n,n'-di-o-tolylthiourea,1,3-di-o-tolyl-2-thiourea,di-o-toluylthiourea,1,3-bis o-tolyl thiourea,n,n'-bis 2-methylphenyl thiourea,2,2'-dimethylthiocarbanilide,usaf ek-1651 |
| IUPAC Name | 1,3-bis(2-methylphenyl)thiourea |
| InChI Key | KWPNNZKRAQDVPZ-UHFFFAOYSA-N |
| Molecular Formula | C15H16N2S |
Carbonyl Cyanide 4-(Trifluoromethoxy)phenylhydrazone 95.0+%, TCI America™
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CAS: 370-86-5 Molecular Formula: C10H5F3N4O Molecular Weight (g/mol): 254.172 MDL Number: MFCD00009699 InChI Key: BMZRVOVNUMQTIN-UHFFFAOYSA-N Synonym: fccp,carbonyl cyanide p-trifluoromethoxyphenylhydrazone,carbonyl cyanide 4-trifluoromethoxy phenylhydrazone,2-2-4-trifluoromethoxy phenyl hydrazono malononitrile,propanedinitrile, 4-trifluoromethoxy phenyl hydrazono,1-cyano-n-4-trifluoromethoxy phenyl methanecarbohydrazonoyl cyanide,carbonyl cyanide 4-trifluoromethoxyphenylhydrazone,carbonyl cyanide, 4-trifluoromethoxyphenylhydrazone,4-trifluoromethoxy phenyl hydrazono malononitrile,mesoxalonitrile, p-trifluoromethoxy phenyl hydrazone PubChem CID: 3330 ChEBI: CHEBI:75458 IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile SMILES: C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F
| PubChem CID | 3330 |
|---|---|
| CAS | 370-86-5 |
| Molecular Weight (g/mol) | 254.172 |
| ChEBI | CHEBI:75458 |
| MDL Number | MFCD00009699 |
| SMILES | C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F |
| Synonym | fccp,carbonyl cyanide p-trifluoromethoxyphenylhydrazone,carbonyl cyanide 4-trifluoromethoxy phenylhydrazone,2-2-4-trifluoromethoxy phenyl hydrazono malononitrile,propanedinitrile, 4-trifluoromethoxy phenyl hydrazono,1-cyano-n-4-trifluoromethoxy phenyl methanecarbohydrazonoyl cyanide,carbonyl cyanide 4-trifluoromethoxyphenylhydrazone,carbonyl cyanide, 4-trifluoromethoxyphenylhydrazone,4-trifluoromethoxy phenyl hydrazono malononitrile,mesoxalonitrile, p-trifluoromethoxy phenyl hydrazone |
| IUPAC Name | 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile |
| InChI Key | BMZRVOVNUMQTIN-UHFFFAOYSA-N |
| Molecular Formula | C10H5F3N4O |
4-Bromobenzylamine 98.0+%, TCI America™
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CAS: 3959-07-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00047931 InChI Key: XRNVSPDQTPVECU-UHFFFAOYSA-N PubChem CID: 77571 IUPAC Name: (4-bromophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Br
| PubChem CID | 77571 |
|---|---|
| CAS | 3959-07-7 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00047931 |
| SMILES | C1=CC(=CC=C1CN)Br |
| IUPAC Name | (4-bromophenyl)methanamine |
| InChI Key | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
BTT 3033 96.0+%, TCI America™
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3-Chloro-p-cresol 98.0+%, TCI America™
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CAS: 615-62-3 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00060319 InChI Key: VQZRLBWPEHFGCD-UHFFFAOYSA-N PubChem CID: 14853 IUPAC Name: 3-chloro-4-methylphenol SMILES: CC1=CC=C(O)C=C1Cl
| PubChem CID | 14853 |
|---|---|
| CAS | 615-62-3 |
| Molecular Weight (g/mol) | 142.58 |
| MDL Number | MFCD00060319 |
| SMILES | CC1=CC=C(O)C=C1Cl |
| IUPAC Name | 3-chloro-4-methylphenol |
| InChI Key | VQZRLBWPEHFGCD-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
Neopentyl Glycol Bis(4-aminophenyl) Ether 97.0+%, TCI America™
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CAS: 115570-52-0 Molecular Formula: C17H22N2O2 Molecular Weight (g/mol): 286.375 MDL Number: MFCD00671569 InChI Key: HPUJEBAZZTZOFL-UHFFFAOYSA-N Synonym: 2,2-Bis[(4-aminophenoxy)methyl]propane, 1,3-Bis(4-aminophenoxy)neopentane, 2,2-Dimethylpropane 1,3-Bis(4-aminophenyl) Ether PubChem CID: 14121182 IUPAC Name: 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline SMILES: CC(C)(COC1=CC=C(C=C1)N)COC2=CC=C(C=C2)N
| PubChem CID | 14121182 |
|---|---|
| CAS | 115570-52-0 |
| Molecular Weight (g/mol) | 286.375 |
| MDL Number | MFCD00671569 |
| SMILES | CC(C)(COC1=CC=C(C=C1)N)COC2=CC=C(C=C2)N |
| Synonym | 2,2-Bis[(4-aminophenoxy)methyl]propane, 1,3-Bis(4-aminophenoxy)neopentane, 2,2-Dimethylpropane 1,3-Bis(4-aminophenyl) Ether |
| IUPAC Name | 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline |
| InChI Key | HPUJEBAZZTZOFL-UHFFFAOYSA-N |
| Molecular Formula | C17H22N2O2 |
Leflunomide 98.0+%, TCI America™
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CAS: 75706-12-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00867593 InChI Key: VHOGYURTWQBHIL-UHFFFAOYSA-N Synonym: leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn PubChem CID: 3899 ChEBI: CHEBI:6402 IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
| PubChem CID | 3899 |
|---|---|
| CAS | 75706-12-6 |
| Molecular Weight (g/mol) | 270.211 |
| ChEBI | CHEBI:6402 |
| MDL Number | MFCD00867593 |
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
| Synonym | leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn |
| IUPAC Name | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide |
| InChI Key | VHOGYURTWQBHIL-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
3-Chlorobenzylamine 98.0+%, TCI America™
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CAS: 4152-90-3 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00040752 InChI Key: BJFPYGGTDAYECS-UHFFFAOYSA-N Synonym: 3-chlorobenzylamine,3-chlorophenyl methanamine,benzenemethanamine, 3-chloro,1-3-chlorophenyl methanamine,m-chlorobenzylamine,3-chloro-benzylamine,m-chlorobenzyl amine,3-chlorophenyl methylamine,chembl12957,c2a PubChem CID: 77802 IUPAC Name: (3-chlorophenyl)methanamine SMILES: C1=CC(=CC(=C1)Cl)CN
| PubChem CID | 77802 |
|---|---|
| CAS | 4152-90-3 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00040752 |
| SMILES | C1=CC(=CC(=C1)Cl)CN |
| Synonym | 3-chlorobenzylamine,3-chlorophenyl methanamine,benzenemethanamine, 3-chloro,1-3-chlorophenyl methanamine,m-chlorobenzylamine,3-chloro-benzylamine,m-chlorobenzyl amine,3-chlorophenyl methylamine,chembl12957,c2a |
| IUPAC Name | (3-chlorophenyl)methanamine |
| InChI Key | BJFPYGGTDAYECS-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
(+/-)-BINAP 97.0+%, TCI America™
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CAS: 98327-87-8 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 IUPAC Name: [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 634876 |
|---|---|
| CAS | 98327-87-8 |
| Molecular Weight (g/mol) | 622.69 |
| MDL Number | MFCD00010805 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene |
| IUPAC Name | [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane |
| InChI Key | MUALRAIOVNYAIW-UHFFFAOYSA-N |
| Molecular Formula | C44H32P2 |
2-(3-Methoxyphenethyl)phenol 98.0+%, TCI America™
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CAS: 167145-13-3 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.291 MDL Number: MFCD09800498 InChI Key: HGQQRAXOBYWKDV-UHFFFAOYSA-N Synonym: 2-[2-(3-Methoxyphenyl)ethyl]phenol PubChem CID: 10585448 IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]phenol SMILES: COC1=CC=CC(=C1)CCC2=CC=CC=C2O
| PubChem CID | 10585448 |
|---|---|
| CAS | 167145-13-3 |
| Molecular Weight (g/mol) | 228.291 |
| MDL Number | MFCD09800498 |
| SMILES | COC1=CC=CC(=C1)CCC2=CC=CC=C2O |
| Synonym | 2-[2-(3-Methoxyphenyl)ethyl]phenol |
| IUPAC Name | 2-[2-(3-methoxyphenyl)ethyl]phenol |
| InChI Key | HGQQRAXOBYWKDV-UHFFFAOYSA-N |
| Molecular Formula | C15H16O2 |
3-Fluorobenzyl Chloride 95.0+%, TCI America™
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CAS: 456-42-8 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000904 InChI Key: XBDXMDVEZLOGMC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene PubChem CID: 9974 IUPAC Name: 1-(chloromethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCl
| PubChem CID | 9974 |
|---|---|
| CAS | 456-42-8 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00000904 |
| SMILES | C1=CC(=CC(=C1)F)CCl |
| Synonym | 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene |
| IUPAC Name | 1-(chloromethyl)-3-fluorobenzene |
| InChI Key | XBDXMDVEZLOGMC-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
4-Dodecyloxyphthalonitrile 99.0+%, TCI America™
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CAS: 161082-75-3 Molecular Formula: C20H28N2O Molecular Weight (g/mol): 312.457 MDL Number: MFCD00191413 InChI Key: SWVGQFFVXRAJRQ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-dodecyloxybenzene PubChem CID: 44630254 IUPAC Name: 4-dodecoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N
| PubChem CID | 44630254 |
|---|---|
| CAS | 161082-75-3 |
| Molecular Weight (g/mol) | 312.457 |
| MDL Number | MFCD00191413 |
| SMILES | CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N |
| Synonym | 1,2-Dicyano-4-dodecyloxybenzene |
| IUPAC Name | 4-dodecoxybenzene-1,2-dicarbonitrile |
| InChI Key | SWVGQFFVXRAJRQ-UHFFFAOYSA-N |
| Molecular Formula | C20H28N2O |
(+)-1,4-Di-O-benzyl-D-threitol 98.0+%, TCI America™
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CAS: 91604-41-0 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00077722 InChI Key: YAVAVQDYJARRAU-UHFFFAOYNA-N Synonym: (+)-(2R,3R)-1,4-Bis(benzyloxy)-2,3-butanediol PubChem CID: 7004210 IUPAC Name: 1,4-bis(benzyloxy)butane-2,3-diol SMILES: OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1
| PubChem CID | 7004210 |
|---|---|
| CAS | 91604-41-0 |
| Molecular Weight (g/mol) | 302.37 |
| MDL Number | MFCD00077722 |
| SMILES | OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1 |
| Synonym | (+)-(2R,3R)-1,4-Bis(benzyloxy)-2,3-butanediol |
| IUPAC Name | 1,4-bis(benzyloxy)butane-2,3-diol |
| InChI Key | YAVAVQDYJARRAU-UHFFFAOYNA-N |
| Molecular Formula | C18H22O4 |