Benzenoids
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3-Phenylpropylamine 97.0+%, TCI America™
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CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1
| PubChem CID | 16259 |
|---|---|
| CAS | 2038-57-5 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008224 |
| SMILES | NCCCC1=CC=CC=C1 |
| Synonym | 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine |
| IUPAC Name | 3-phenylpropan-1-amine |
| InChI Key | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
(1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol 98.0+%, TCI America™
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CAS: 187324-63-6 Molecular Formula: C25H29NO3S Molecular Weight (g/mol): 423.571 MDL Number: MFCD02093446 InChI Key: ZPERKXJNXPLVAC-URXFXBBRSA-N Synonym: (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol PubChem CID: 11166154 IUPAC Name: N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C
| PubChem CID | 11166154 |
|---|---|
| CAS | 187324-63-6 |
| Molecular Weight (g/mol) | 423.571 |
| MDL Number | MFCD02093446 |
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C |
| Synonym | (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol |
| IUPAC Name | N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide |
| InChI Key | ZPERKXJNXPLVAC-URXFXBBRSA-N |
| Molecular Formula | C25H29NO3S |
4-Ethylbenzaldehyde 98.0+%, TCI America™
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CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N Synonym: p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O
| PubChem CID | 20861 |
|---|---|
| CAS | 4748-78-1 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00006956 |
| SMILES | CCC1=CC=C(C=C1)C=O |
| Synonym | p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p |
| IUPAC Name | 4-ethylbenzaldehyde |
| InChI Key | QNGNSVIICDLXHT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
Eugenol Acetate 98.0+%, TCI America™
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CAS: 93-28-7 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00026191 InChI Key: SCCDQYPEOIRVGX-UHFFFAOYSA-N Synonym: eugenyl acetate,acetyleugenol,eugenol acetate,aceteugenol,4-allyl-2-methoxyphenyl acetate,acetyl eugenol,1,3,4-eugenol acetate,4-allyl-2-methoxyphenol acetate,aceto eugenol,1-acetoxy-2-methoxy-4-allylbenzene PubChem CID: 7136 ChEBI: CHEBI:34522 IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenyl acetate SMILES: COC1=CC(CC=C)=CC=C1OC(C)=O
| PubChem CID | 7136 |
|---|---|
| CAS | 93-28-7 |
| Molecular Weight (g/mol) | 206.24 |
| ChEBI | CHEBI:34522 |
| MDL Number | MFCD00026191 |
| SMILES | COC1=CC(CC=C)=CC=C1OC(C)=O |
| Synonym | eugenyl acetate,acetyleugenol,eugenol acetate,aceteugenol,4-allyl-2-methoxyphenyl acetate,acetyl eugenol,1,3,4-eugenol acetate,4-allyl-2-methoxyphenol acetate,aceto eugenol,1-acetoxy-2-methoxy-4-allylbenzene |
| IUPAC Name | 2-methoxy-4-(prop-2-en-1-yl)phenyl acetate |
| InChI Key | SCCDQYPEOIRVGX-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
1-Pyrenemethanol 98.0+%, TCI America™
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CAS: 24463-15-8 Molecular Formula: C17H12O Molecular Weight (g/mol): 232.282 MDL Number: MFCD00029252 InChI Key: NGDMLQSGYUCLDC-UHFFFAOYSA-N Synonym: 1-(Hydroxymethyl)pyrene PubChem CID: 104977 IUPAC Name: pyren-1-ylmethanol SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO
| PubChem CID | 104977 |
|---|---|
| CAS | 24463-15-8 |
| Molecular Weight (g/mol) | 232.282 |
| MDL Number | MFCD00029252 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO |
| Synonym | 1-(Hydroxymethyl)pyrene |
| IUPAC Name | pyren-1-ylmethanol |
| InChI Key | NGDMLQSGYUCLDC-UHFFFAOYSA-N |
| Molecular Formula | C17H12O |
2-(3-Benzoylphenyl)propionitrile 98.0+%, TCI America™
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CAS: 42872-30-0 Molecular Formula: C16H13NO Molecular Weight (g/mol): 235.29 MDL Number: MFCD00044435 InChI Key: RGYOCHMZSLUCNP-UHFFFAOYNA-N Synonym: 3-(1-Cyanoethyl)benzophenone, 3-Benzoyl-alpha-methylphenylacetonitrile PubChem CID: 39325 IUPAC Name: 2-(3-benzoylphenyl)propanenitrile SMILES: CC(C#N)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 39325 |
|---|---|
| CAS | 42872-30-0 |
| Molecular Weight (g/mol) | 235.29 |
| MDL Number | MFCD00044435 |
| SMILES | CC(C#N)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 3-(1-Cyanoethyl)benzophenone, 3-Benzoyl-alpha-methylphenylacetonitrile |
| IUPAC Name | 2-(3-benzoylphenyl)propanenitrile |
| InChI Key | RGYOCHMZSLUCNP-UHFFFAOYNA-N |
| Molecular Formula | C16H13NO |
3,4'-Diaminodiphenyl Ether 97.0+%, TCI America™
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CAS: 2657-87-6 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.241 MDL Number: MFCD00036097 InChI Key: ZBMISJGHVWNWTE-UHFFFAOYSA-N PubChem CID: 75871 IUPAC Name: 3-(4-aminophenoxy)aniline SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N
| PubChem CID | 75871 |
|---|---|
| CAS | 2657-87-6 |
| Molecular Weight (g/mol) | 200.241 |
| MDL Number | MFCD00036097 |
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N |
| IUPAC Name | 3-(4-aminophenoxy)aniline |
| InChI Key | ZBMISJGHVWNWTE-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
2-Bromo-4,6-dichloroaniline 97.0+%, TCI America™
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CAS: 697-86-9 Molecular Formula: C6H4BrCl2N Molecular Weight (g/mol): 240.909 MDL Number: MFCD00040936 InChI Key: DTPADCOGQUOGHT-UHFFFAOYSA-N Synonym: pubchem3605,acmc-209ob3,6-bromo-2,4-dichloroaniline,2,4-dichloro-6-bromoaniline,2-bromo-4,6-dichloro-aniline,6-bromo-2,4-dichlorophenylamine,benzenamine,2-bromo-4,6-dichloro,2-bromo-4,6-dichloroaniline,2-bromanyl-4,6-bis chloranyl aniline PubChem CID: 2756901 IUPAC Name: 2-bromo-4,6-dichloroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Br)Cl
| PubChem CID | 2756901 |
|---|---|
| CAS | 697-86-9 |
| Molecular Weight (g/mol) | 240.909 |
| MDL Number | MFCD00040936 |
| SMILES | C1=C(C=C(C(=C1Cl)N)Br)Cl |
| Synonym | pubchem3605,acmc-209ob3,6-bromo-2,4-dichloroaniline,2,4-dichloro-6-bromoaniline,2-bromo-4,6-dichloro-aniline,6-bromo-2,4-dichlorophenylamine,benzenamine,2-bromo-4,6-dichloro,2-bromo-4,6-dichloroaniline,2-bromanyl-4,6-bis chloranyl aniline |
| IUPAC Name | 2-bromo-4,6-dichloroaniline |
| InChI Key | DTPADCOGQUOGHT-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrCl2N |
1,4-Dibromo-2,5-diiodobenzene 96.0+%, TCI America™
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CAS: 63262-06-6 Molecular Formula: C6H2Br2I2 Molecular Weight (g/mol): 487.699 MDL Number: MFCD00082898 InChI Key: IVKPEQAIHJWGGT-UHFFFAOYSA-N PubChem CID: 11123771 IUPAC Name: 1,4-dibromo-2,5-diiodobenzene SMILES: C1=C(C(=CC(=C1I)Br)I)Br
| PubChem CID | 11123771 |
|---|---|
| CAS | 63262-06-6 |
| Molecular Weight (g/mol) | 487.699 |
| MDL Number | MFCD00082898 |
| SMILES | C1=C(C(=CC(=C1I)Br)I)Br |
| IUPAC Name | 1,4-dibromo-2,5-diiodobenzene |
| InChI Key | IVKPEQAIHJWGGT-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2I2 |
4-Amino-3-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 2122-63-6 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD01660550 InChI Key: FPLDDZRJTOXFCB-UHFFFAOYSA-N Synonym: benzoic acid, 4-amino-3-iodo,4-amino-3-iodobenzoicacid,4-amino-3-iodo-benzoic acid,pubchem14046,rarechem al bo 1498,4-carboxy-2-iodoaniline,4-amino-3-iodo benzoic,wln: zr bi dvq,4-amino-3-iodo-benzoicaci,3-iodo-4-aminobenzoic acid PubChem CID: 16461 IUPAC Name: 4-amino-3-iodobenzoic acid SMILES: NC1=CC=C(C=C1I)C(O)=O
| PubChem CID | 16461 |
|---|---|
| CAS | 2122-63-6 |
| Molecular Weight (g/mol) | 263.03 |
| MDL Number | MFCD01660550 |
| SMILES | NC1=CC=C(C=C1I)C(O)=O |
| Synonym | benzoic acid, 4-amino-3-iodo,4-amino-3-iodobenzoicacid,4-amino-3-iodo-benzoic acid,pubchem14046,rarechem al bo 1498,4-carboxy-2-iodoaniline,4-amino-3-iodo benzoic,wln: zr bi dvq,4-amino-3-iodo-benzoicaci,3-iodo-4-aminobenzoic acid |
| IUPAC Name | 4-amino-3-iodobenzoic acid |
| InChI Key | FPLDDZRJTOXFCB-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
1,3,5-Benzenetrimethanol 95.0+%, TCI America™
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CAS: 4464-18-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD01108484 InChI Key: SQAMZFDWYRVIMG-UHFFFAOYSA-N Synonym: 1,3,5-Tris(hydroxymethyl)benzene PubChem CID: 2748048 IUPAC Name: [3,5-bis(hydroxymethyl)phenyl]methanol SMILES: C1=C(C=C(C=C1CO)CO)CO
| PubChem CID | 2748048 |
|---|---|
| CAS | 4464-18-0 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD01108484 |
| SMILES | C1=C(C=C(C=C1CO)CO)CO |
| Synonym | 1,3,5-Tris(hydroxymethyl)benzene |
| IUPAC Name | [3,5-bis(hydroxymethyl)phenyl]methanol |
| InChI Key | SQAMZFDWYRVIMG-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
4-Bromobenzotrifluoride 98.0+%, TCI America™
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CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br
| PubChem CID | 67872 |
|---|---|
| CAS | 402-43-7 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00000398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)Br |
| Synonym | 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene |
| IUPAC Name | 1-bromo-4-(trifluoromethyl)benzene |
| InChI Key | XLQSXGGDTHANLN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
Benzaldehyde Dimethyl Acetal 98.0+%, TCI America™
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CAS: 1125-88-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00008491 InChI Key: HEVMDQBCAHEHDY-UHFFFAOYSA-N Synonym: benzaldehyde dimethyl acetal,dimethoxymethyl benzene,alpha,alpha-dimethoxytoluene,dimethoxyphenylmethane,benzene, dimethoxymethyl,benzaldehydedimethylacetal,dimethoxymethyl-benzene,benzaldehyde, dimethyl acetal,benzaldehyde dimethylacetal,unii-w6t83k35ca PubChem CID: 62375 IUPAC Name: dimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)OC
| PubChem CID | 62375 |
|---|---|
| CAS | 1125-88-8 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00008491 |
| SMILES | COC(C1=CC=CC=C1)OC |
| Synonym | benzaldehyde dimethyl acetal,dimethoxymethyl benzene,alpha,alpha-dimethoxytoluene,dimethoxyphenylmethane,benzene, dimethoxymethyl,benzaldehydedimethylacetal,dimethoxymethyl-benzene,benzaldehyde, dimethyl acetal,benzaldehyde dimethylacetal,unii-w6t83k35ca |
| IUPAC Name | dimethoxymethylbenzene |
| InChI Key | HEVMDQBCAHEHDY-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
4-Bromo-4'-pentylbiphenyl 99.0+%, TCI America™
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CAS: 63619-59-0 Molecular Formula: C17H19Br Molecular Weight (g/mol): 303.24 MDL Number: MFCD00060106 InChI Key: VXJTWTJULLKDPY-UHFFFAOYSA-N Synonym: 4-Amyl-4′C-bromobiphenyl PubChem CID: 618709 IUPAC Name: 4-bromo-4'-pentyl-1,1'-biphenyl SMILES: CCCCCC1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 618709 |
|---|---|
| CAS | 63619-59-0 |
| Molecular Weight (g/mol) | 303.24 |
| MDL Number | MFCD00060106 |
| SMILES | CCCCCC1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4-Amyl-4′C-bromobiphenyl |
| IUPAC Name | 4-bromo-4'-pentyl-1,1'-biphenyl |
| InChI Key | VXJTWTJULLKDPY-UHFFFAOYSA-N |
| Molecular Formula | C17H19Br |
(S)-(-)-BINAP 98.0+%, TCI America™
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CAS: 76189-56-5 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=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 634876 |
|---|---|
| CAS | 76189-56-5 |
| Molecular Weight (g/mol) | 622.69 |
| MDL Number | MFCD00010805 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=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 |