Benzenoids
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(R)-(+)-XylBINAP 97.0+%, TCI America™
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CAS: 137219-86-4 Molecular Formula: C52H48P2 Molecular Weight (g/mol): 734.904 MDL Number: MFCD01630821 InChI Key: MXGXXBYVDMVJAO-UHFFFAOYSA-N Synonym: s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap PubChem CID: 4189905 IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
| PubChem CID | 4189905 |
|---|---|
| CAS | 137219-86-4 |
| Molecular Weight (g/mol) | 734.904 |
| MDL Number | MFCD01630821 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C |
| Synonym | s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap |
| IUPAC Name | [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane |
| InChI Key | MXGXXBYVDMVJAO-UHFFFAOYSA-N |
| Molecular Formula | C52H48P2 |
4-Bromo-1,2-phenylenediamine 96.0+%, TCI America™
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CAS: 1575-37-7 Molecular Formula: C6H7BrN2 Molecular Weight (g/mol): 187.04 MDL Number: MFCD02660622 InChI Key: WIHHVKUARKTSBU-UHFFFAOYSA-N Synonym: 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine PubChem CID: 323593 IUPAC Name: 4-bromobenzene-1,2-diamine SMILES: NC1=CC=C(Br)C=C1N
| PubChem CID | 323593 |
|---|---|
| CAS | 1575-37-7 |
| Molecular Weight (g/mol) | 187.04 |
| MDL Number | MFCD02660622 |
| SMILES | NC1=CC=C(Br)C=C1N |
| Synonym | 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine |
| IUPAC Name | 4-bromobenzene-1,2-diamine |
| InChI Key | WIHHVKUARKTSBU-UHFFFAOYSA-N |
| Molecular Formula | C6H7BrN2 |
2,5-Difluorobenzoyl Chloride 98.0+%, TCI America™
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CAS: 35730-09-7 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00009929 InChI Key: RLRUKKDFNWXXRT-UHFFFAOYSA-N PubChem CID: 588082 IUPAC Name: 2,5-difluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)C(=O)Cl)F
| PubChem CID | 588082 |
|---|---|
| CAS | 35730-09-7 |
| Molecular Weight (g/mol) | 176.547 |
| MDL Number | MFCD00009929 |
| SMILES | C1=CC(=C(C=C1F)C(=O)Cl)F |
| IUPAC Name | 2,5-difluorobenzoyl chloride |
| InChI Key | RLRUKKDFNWXXRT-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
3-Amino-4-hydroxyphenyl Methyl Sulfone 97.0+%, TCI America™
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CAS: 98-30-6 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00719450 InChI Key: SFLMBHYNCSYPOO-UHFFFAOYSA-N Synonym: 2-Amino-4-(methylsulfonyl)phenol, 2-Hydroxy-5-(methylsulfonyl)aniline PubChem CID: 7382 IUPAC Name: 2-amino-4-methanesulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C(N)=C1
| PubChem CID | 7382 |
|---|---|
| CAS | 98-30-6 |
| Molecular Weight (g/mol) | 187.21 |
| MDL Number | MFCD00719450 |
| SMILES | CS(=O)(=O)C1=CC=C(O)C(N)=C1 |
| Synonym | 2-Amino-4-(methylsulfonyl)phenol, 2-Hydroxy-5-(methylsulfonyl)aniline |
| IUPAC Name | 2-amino-4-methanesulfonylphenol |
| InChI Key | SFLMBHYNCSYPOO-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
4-Bromobenzoyl Chloride 98.0+%, TCI America™
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CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 68515 |
|---|---|
| CAS | 586-75-4 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD00000683 |
| SMILES | ClC(=O)C1=CC=C(Br)C=C1 |
| Synonym | p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride |
| IUPAC Name | 4-bromobenzoyl chloride |
| InChI Key | DENKGPBHLYFNGK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
5-Fluoro-2-nitroanisole 98.0+%, TCI America™
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CAS: 448-19-1 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.127 MDL Number: MFCD00077541 InChI Key: WLKUSVNHZXUEFO-UHFFFAOYSA-N Synonym: 4-Fluoro-2-methoxy-1-nitrobenzene PubChem CID: 2779250 IUPAC Name: 4-fluoro-2-methoxy-1-nitrobenzene SMILES: COC1=C(C=CC(=C1)F)[N+](=O)[O-]
| PubChem CID | 2779250 |
|---|---|
| CAS | 448-19-1 |
| Molecular Weight (g/mol) | 171.127 |
| MDL Number | MFCD00077541 |
| SMILES | COC1=C(C=CC(=C1)F)[N+](=O)[O-] |
| Synonym | 4-Fluoro-2-methoxy-1-nitrobenzene |
| IUPAC Name | 4-fluoro-2-methoxy-1-nitrobenzene |
| InChI Key | WLKUSVNHZXUEFO-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO3 |
Atropic Acid 93.0+%, TCI America™
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CAS: 492-38-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00046531 InChI Key: ONPJWQSDZCGSQM-UHFFFAOYSA-N Synonym: 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid PubChem CID: 68114 IUPAC Name: 2-phenylprop-2-enoic acid SMILES: C=C(C1=CC=CC=C1)C(=O)O
| PubChem CID | 68114 |
|---|---|
| CAS | 492-38-6 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00046531 |
| SMILES | C=C(C1=CC=CC=C1)C(=O)O |
| Synonym | 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid |
| IUPAC Name | 2-phenylprop-2-enoic acid |
| InChI Key | ONPJWQSDZCGSQM-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2-Bromo-5-chlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 344-65-0 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD00010308 InChI Key: OSTIALFVJOFNPP-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzotrifluoride,1-bromo-4-chloro-2-trifluoromethyl benzene,benzene, 1-bromo-4-chloro-2-trifluoromethyl,2-bromo-5-chorobenzotrifluoride,2-bromo-5-chloro-alpha,alpha,alpha-trifluorotoluene,1-bromo-4-chloro-2-trifluoromethyl-benzene,4-chloro-2-trifluoromethyl bromobenzene,pubchem2713,bromo-5-chlorobenzotrifluoride PubChem CID: 136172 IUPAC Name: 1-bromo-4-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Br
| PubChem CID | 136172 |
|---|---|
| CAS | 344-65-0 |
| Molecular Weight (g/mol) | 259.45 |
| MDL Number | MFCD00010308 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)Br |
| Synonym | 2-bromo-5-chlorobenzotrifluoride,1-bromo-4-chloro-2-trifluoromethyl benzene,benzene, 1-bromo-4-chloro-2-trifluoromethyl,2-bromo-5-chorobenzotrifluoride,2-bromo-5-chloro-alpha,alpha,alpha-trifluorotoluene,1-bromo-4-chloro-2-trifluoromethyl-benzene,4-chloro-2-trifluoromethyl bromobenzene,pubchem2713,bromo-5-chlorobenzotrifluoride |
| IUPAC Name | 1-bromo-4-chloro-2-(trifluoromethyl)benzene |
| InChI Key | OSTIALFVJOFNPP-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClF3 |
2-Methylbenzylamine 98.0+%, TCI America™
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CAS: 89-93-0 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008112 InChI Key: CJAAPVQEZPAQNI-UHFFFAOYSA-N Synonym: 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine PubChem CID: 6993 IUPAC Name: (2-methylphenyl)methanamine SMILES: CC1=CC=CC=C1CN
| PubChem CID | 6993 |
|---|---|
| CAS | 89-93-0 |
| Molecular Weight (g/mol) | 121.183 |
| MDL Number | MFCD00008112 |
| SMILES | CC1=CC=CC=C1CN |
| Synonym | 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine |
| IUPAC Name | (2-methylphenyl)methanamine |
| InChI Key | CJAAPVQEZPAQNI-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
N-Acetyl-o-phenetidine 98.0+%, TCI America™
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CAS: 581-08-8 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00059228 InChI Key: SQRTWLGWCOJOTO-UHFFFAOYSA-N PubChem CID: 11383 IUPAC Name: N-(2-ethoxyphenyl)acetamide SMILES: CCOC1=CC=CC=C1NC(=O)C
| PubChem CID | 11383 |
|---|---|
| CAS | 581-08-8 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00059228 |
| SMILES | CCOC1=CC=CC=C1NC(=O)C |
| IUPAC Name | N-(2-ethoxyphenyl)acetamide |
| InChI Key | SQRTWLGWCOJOTO-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
2-Iodobenzonitrile 98.0+%, TCI America™
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CAS: 4387-36-4 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 InChI Key: JDDAFHUEOVUDFJ-UHFFFAOYSA-N Synonym: 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d PubChem CID: 2759358 IUPAC Name: 2-iodobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)I
| PubChem CID | 2759358 |
|---|---|
| CAS | 4387-36-4 |
| Molecular Weight (g/mol) | 229.02 |
| SMILES | C1=CC=C(C(=C1)C#N)I |
| Synonym | 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d |
| IUPAC Name | 2-iodobenzonitrile |
| InChI Key | JDDAFHUEOVUDFJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4IN |
(1R,2R)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic Acid 98.0+%, TCI America™
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CAS: 446044-44-6 Molecular Formula: C23H19NO4 Molecular Weight (g/mol): 373.408 InChI Key: IIJKRPVAVXANME-YLJYHZDGSA-N Synonym: N-[(1R,2R)-2-Carboxycyclohexyl]anthracene-2,3-dicarboximide PubChem CID: 44607940 IUPAC Name: (1R,2R)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)cyclohexane-1-carboxylic acid SMILES: C1CCC(C(C1)C(=O)O)N2C(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3C2=O
| PubChem CID | 44607940 |
|---|---|
| CAS | 446044-44-6 |
| Molecular Weight (g/mol) | 373.408 |
| SMILES | C1CCC(C(C1)C(=O)O)N2C(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3C2=O |
| Synonym | N-[(1R,2R)-2-Carboxycyclohexyl]anthracene-2,3-dicarboximide |
| IUPAC Name | (1R,2R)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)cyclohexane-1-carboxylic acid |
| InChI Key | IIJKRPVAVXANME-YLJYHZDGSA-N |
| Molecular Formula | C23H19NO4 |
4'-Cyano-4-nonyloxybiphenyl 98.0+%, TCI America™
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CAS: 58932-13-1 Molecular Formula: C22H27NO Molecular Weight (g/mol): 321.464 MDL Number: MFCD00388658 InChI Key: NJQLLUIPSJLJHY-UHFFFAOYSA-N Synonym: 4′C-Nonyloxy-4-biphenylcarbonitrile, 4′C-(Nonyloxy)-[1,1′C-biphenyl]-4-carbonitrile, 9OCB PubChem CID: 100887 IUPAC Name: 4-(4-nonoxyphenyl)benzonitrile SMILES: CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 100887 |
|---|---|
| CAS | 58932-13-1 |
| Molecular Weight (g/mol) | 321.464 |
| MDL Number | MFCD00388658 |
| SMILES | CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4′C-Nonyloxy-4-biphenylcarbonitrile, 4′C-(Nonyloxy)-[1,1′C-biphenyl]-4-carbonitrile, 9OCB |
| IUPAC Name | 4-(4-nonoxyphenyl)benzonitrile |
| InChI Key | NJQLLUIPSJLJHY-UHFFFAOYSA-N |
| Molecular Formula | C22H27NO |
Cumylamine 98.0+%, TCI America™
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CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1
| PubChem CID | 68509 |
|---|---|
| CAS | 585-32-0 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00134680 |
| SMILES | CC(C)(N)C1=CC=CC=C1 |
| Synonym | cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine |
| IUPAC Name | 2-phenylpropan-2-amine |
| InChI Key | KDFDOINBXBEOLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
4,4'-Dihydroxyazobenzene 98.0+%, TCI America™
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CAS: 2050-16-0 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00045778 InChI Key: LJIUQBUUZNTUQK-UHFFFAOYSA-N PubChem CID: 5385293 IUPAC Name: 4-[2-(4-hydroxyphenyl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(NN=C2C=CC(=O)C=C2)C=C1
| PubChem CID | 5385293 |
|---|---|
| CAS | 2050-16-0 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00045778 |
| SMILES | OC1=CC=C(NN=C2C=CC(=O)C=C2)C=C1 |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | LJIUQBUUZNTUQK-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O2 |