Benzenoids
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BTT 3033 96.0+%, TCI America™
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3-Bromo-4-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 101420-81-9 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD04117949 InChI Key: KKPPNEJUUOQRLE-UHFFFAOYSA-N PubChem CID: 16218087 IUPAC Name: 3-bromo-4-nitrobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O
| PubChem CID | 16218087 |
|---|---|
| CAS | 101420-81-9 |
| Molecular Weight (g/mol) | 246.02 |
| MDL Number | MFCD04117949 |
| SMILES | OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O |
| IUPAC Name | 3-bromo-4-nitrobenzoic acid |
| InChI Key | KKPPNEJUUOQRLE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
4-Fluoro-2-methylbenzonitrile 99.0+%, TCI America™
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CAS: 147754-12-9 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD03095106 InChI Key: BJBXUIUJKPOZLV-UHFFFAOYSA-N Synonym: 2-methyl-4-fluorobenzonitrile,4-fluoro-2-methyl-benzonitrile,benzonitrile, 4-fluoro-2-methyl,2-cyano-5-fluorotoluene,4-fluoro-2-methylbenzenecarbonitrile,pubchem1554,intermediates-zcf02129,methyl 4-fluorobenzonitrile,4-fuoro-2-methylbenzonitrile,ksc174s6l PubChem CID: 3826055 IUPAC Name: 4-fluoro-2-methylbenzonitrile SMILES: CC1=C(C=CC(=C1)F)C#N
| PubChem CID | 3826055 |
|---|---|
| CAS | 147754-12-9 |
| Molecular Weight (g/mol) | 135.141 |
| MDL Number | MFCD03095106 |
| SMILES | CC1=C(C=CC(=C1)F)C#N |
| Synonym | 2-methyl-4-fluorobenzonitrile,4-fluoro-2-methyl-benzonitrile,benzonitrile, 4-fluoro-2-methyl,2-cyano-5-fluorotoluene,4-fluoro-2-methylbenzenecarbonitrile,pubchem1554,intermediates-zcf02129,methyl 4-fluorobenzonitrile,4-fuoro-2-methylbenzonitrile,ksc174s6l |
| IUPAC Name | 4-fluoro-2-methylbenzonitrile |
| InChI Key | BJBXUIUJKPOZLV-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol 96.0+%, TCI America™
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CAS: 808-12-8 Molecular Formula: C28H26O2 Molecular Weight (g/mol): 394.514 MDL Number: MFCD00026012 InChI Key: YOCSNHRJFCUGEU-UHFFFAOYSA-N Synonym: 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol PubChem CID: 4612495 IUPAC Name: 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O
| PubChem CID | 4612495 |
|---|---|
| CAS | 808-12-8 |
| Molecular Weight (g/mol) | 394.514 |
| MDL Number | MFCD00026012 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O |
| Synonym | 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol |
| IUPAC Name | 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol |
| InChI Key | YOCSNHRJFCUGEU-UHFFFAOYSA-N |
| Molecular Formula | C28H26O2 |
4-(4-alpha-Cumylphenoxy)phthalonitrile 98.0+%, TCI America™
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CAS: 83482-57-9 Molecular Formula: C23H18N2O Molecular Weight (g/mol): 338.41 MDL Number: MFCD00059048 InChI Key: IANCXVAWMHHHKK-UHFFFAOYSA-N Synonym: 2-[4-(3,4-Dicyanophenoxy)phenyl]-2-phenylpropane PubChem CID: 371798 IUPAC Name: 4-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile SMILES: CC(C)(C1=CC=CC=C1)C1=CC=C(OC2=CC(C#N)=C(C=C2)C#N)C=C1
| PubChem CID | 371798 |
|---|---|
| CAS | 83482-57-9 |
| Molecular Weight (g/mol) | 338.41 |
| MDL Number | MFCD00059048 |
| SMILES | CC(C)(C1=CC=CC=C1)C1=CC=C(OC2=CC(C#N)=C(C=C2)C#N)C=C1 |
| Synonym | 2-[4-(3,4-Dicyanophenoxy)phenyl]-2-phenylpropane |
| IUPAC Name | 4-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile |
| InChI Key | IANCXVAWMHHHKK-UHFFFAOYSA-N |
| Molecular Formula | C23H18N2O |
5-Fluoro-2-hydroxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 3772476 |
|---|---|
| CAS | 259209-20-6 |
| MDL Number | MFCD03095357 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (5-fluoro-2-hydroxyphenyl)boronic acid |
| InChI Key | TWDQSJDFXUMAOI-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO3 |
| Formula Weight | 155.92 |
| Melting Point | 166°C |
2,6-Dichloro-p-cresol 96.0+%, TCI America™
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CAS: 2432-12-4 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00134679 InChI Key: YXEOEPYIBGTLML-UHFFFAOYSA-N Synonym: 2,6-Dichloro-4-methylphenol PubChem CID: 17077 IUPAC Name: 2,6-dichloro-4-methylphenol SMILES: CC1=CC(=C(C(=C1)Cl)O)Cl
| PubChem CID | 17077 |
|---|---|
| CAS | 2432-12-4 |
| Molecular Weight (g/mol) | 177.02 |
| MDL Number | MFCD00134679 |
| SMILES | CC1=CC(=C(C(=C1)Cl)O)Cl |
| Synonym | 2,6-Dichloro-4-methylphenol |
| IUPAC Name | 2,6-dichloro-4-methylphenol |
| InChI Key | YXEOEPYIBGTLML-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
5-Fluororesorcinol 98.0+%, TCI America™
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CAS: 75996-29-1 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.102 MDL Number: MFCD08457182 InChI Key: LYFBZGKZAZBANN-UHFFFAOYSA-N PubChem CID: 12658778 IUPAC Name: 5-fluorobenzene-1,3-diol SMILES: C1=C(C=C(C=C1O)F)O
| PubChem CID | 12658778 |
|---|---|
| CAS | 75996-29-1 |
| Molecular Weight (g/mol) | 128.102 |
| MDL Number | MFCD08457182 |
| SMILES | C1=C(C=C(C=C1O)F)O |
| IUPAC Name | 5-fluorobenzene-1,3-diol |
| InChI Key | LYFBZGKZAZBANN-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO2 |
4-Acetamidobenzoic Acid 98.0+%, TCI America™
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CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O
| PubChem CID | 19266 |
|---|---|
| CAS | 556-08-1 |
| Molecular Weight (g/mol) | 179.175 |
| ChEBI | CHEBI:46171 |
| MDL Number | MFCD00002534 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)O |
| Synonym | acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid |
| IUPAC Name | 4-acetamidobenzoic acid |
| InChI Key | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol 98.0+%, TCI America™
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CAS: 112068-01-6 Molecular Formula: C17H19NO Molecular Weight (g/mol): 253.345 MDL Number: MFCD00075506 InChI Key: OGCGXUGBDJGFFY-INIZCTEOSA-N Synonym: s---alpha,alpha-diphenyl-2-pyrrolidinemethanol,s-diphenyl pyrrolidin-2-yl methanol,s---2-diphenylhydroxymethyl pyrrolidine,alpha,alpha-diphenyl-l-prolinol,diphenyl-l-pyrrolidin-2-yl-methanol,diphenyl-2s-pyrrolidin-2-yl methanol,s-alpha,alpha-diphenyl-2-pyrrolidinemethanol,s---diphenylpyrrolidinemethanol,s---alpha,alpha-diphenyl-2-pyrrolidine methanol,diphenyl 2s-pyrrolidin-2-ylmethanol PubChem CID: 2724899 IUPAC Name: diphenyl-[(2S)-pyrrolidin-2-yl]methanol SMILES: C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
| PubChem CID | 2724899 |
|---|---|
| CAS | 112068-01-6 |
| Molecular Weight (g/mol) | 253.345 |
| MDL Number | MFCD00075506 |
| SMILES | C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| Synonym | s---alpha,alpha-diphenyl-2-pyrrolidinemethanol,s-diphenyl pyrrolidin-2-yl methanol,s---2-diphenylhydroxymethyl pyrrolidine,alpha,alpha-diphenyl-l-prolinol,diphenyl-l-pyrrolidin-2-yl-methanol,diphenyl-2s-pyrrolidin-2-yl methanol,s-alpha,alpha-diphenyl-2-pyrrolidinemethanol,s---diphenylpyrrolidinemethanol,s---alpha,alpha-diphenyl-2-pyrrolidine methanol,diphenyl 2s-pyrrolidin-2-ylmethanol |
| IUPAC Name | diphenyl-[(2S)-pyrrolidin-2-yl]methanol |
| InChI Key | OGCGXUGBDJGFFY-INIZCTEOSA-N |
| Molecular Formula | C17H19NO |
Methyl 2-(Bromomethyl)-3-nitrobenzoate 98.0+%, TCI America™
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CAS: 98475-07-1 Molecular Formula: C9H8BrNO4 Molecular Weight (g/mol): 274.07 MDL Number: MFCD04114315 InChI Key: FCGIVHSBEKGQMZ-UHFFFAOYSA-N Synonym: methyl 2-bromomethyl-3-nitrobenzoate,2-bromomethyl-3-nitrobenzoic acid methyl ester,methyl 2-bromomethyl-3-nitro-benzoate,benzoic acid, 2-bromomethyl-3-nitro-, methyl ester,methyl 2-bromomethyl-3-nitrobenzenecarboxylate,2-bromomethyl-3-nitro benzoic acid methyl ester,methyl2-bromomethyl-3-nitrobenzoate,zlchem 474,pubchem19169 PubChem CID: 1487795 IUPAC Name: methyl 2-(bromomethyl)-3-nitrobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr
| PubChem CID | 1487795 |
|---|---|
| CAS | 98475-07-1 |
| Molecular Weight (g/mol) | 274.07 |
| MDL Number | MFCD04114315 |
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr |
| Synonym | methyl 2-bromomethyl-3-nitrobenzoate,2-bromomethyl-3-nitrobenzoic acid methyl ester,methyl 2-bromomethyl-3-nitro-benzoate,benzoic acid, 2-bromomethyl-3-nitro-, methyl ester,methyl 2-bromomethyl-3-nitrobenzenecarboxylate,2-bromomethyl-3-nitro benzoic acid methyl ester,methyl2-bromomethyl-3-nitrobenzoate,zlchem 474,pubchem19169 |
| IUPAC Name | methyl 2-(bromomethyl)-3-nitrobenzoate |
| InChI Key | FCGIVHSBEKGQMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8BrNO4 |
3,5-Bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl Bromide 97.0+%, TCI America™
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CAS: 152811-37-5 Molecular Formula: C57H59BrO14 Molecular Weight (g/mol): 1047.989 InChI Key: BMISSUNAKMQTFS-UHFFFAOYSA-N PubChem CID: 15891038 IUPAC Name: 1,3-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]-5-(bromomethyl)benzene SMILES: COC1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)CBr)OCC4=CC(=CC(=C4)OCC5=CC(=CC(=C5)OC)OC)OCC6=CC(=CC(=C6)OC)OC)OCC7=CC(=CC(=C7)OC)OC)OC
| PubChem CID | 15891038 |
|---|---|
| CAS | 152811-37-5 |
| Molecular Weight (g/mol) | 1047.989 |
| SMILES | COC1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)CBr)OCC4=CC(=CC(=C4)OCC5=CC(=CC(=C5)OC)OC)OCC6=CC(=CC(=C6)OC)OC)OCC7=CC(=CC(=C7)OC)OC)OC |
| IUPAC Name | 1,3-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]-5-(bromomethyl)benzene |
| InChI Key | BMISSUNAKMQTFS-UHFFFAOYSA-N |
| Molecular Formula | C57H59BrO14 |
4-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143282 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O
| PubChem CID | 2724908 |
|---|---|
| CAS | 61072-56-8 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143282 |
| SMILES | C1=CC(=C(C=C1Cl)F)C=O |
| Synonym | 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 |
| IUPAC Name | 4-chloro-2-fluorobenzaldehyde |
| InChI Key | UVGYSEIWAOOIJR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
2-Nitrobenzaldehyde 99.0+%, TCI America™
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CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
| PubChem CID | 11101 |
|---|---|
| CAS | 552-89-6 |
| Molecular Weight (g/mol) | 151.121 |
| ChEBI | CHEBI:66927 |
| MDL Number | MFCD00007132 |
| SMILES | C1=CC=C(C(=C1)C=O)[N+](=O)[O-] |
| Synonym | o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde |
| IUPAC Name | 2-nitrobenzaldehyde |
| InChI Key | CMWKITSNTDAEDT-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
2,4-Dichlorobenzyl Bromide 98.0+%, TCI America™
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CAS: 20443-99-6 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.92 MDL Number: MFCD03208523 InChI Key: RGLQSFFFIREZFV-UHFFFAOYSA-N PubChem CID: 10988373 IUPAC Name: 1-(bromomethyl)-2,4-dichlorobenzene SMILES: ClC1=CC(Cl)=C(CBr)C=C1
| PubChem CID | 10988373 |
|---|---|
| CAS | 20443-99-6 |
| Molecular Weight (g/mol) | 239.92 |
| MDL Number | MFCD03208523 |
| SMILES | ClC1=CC(Cl)=C(CBr)C=C1 |
| IUPAC Name | 1-(bromomethyl)-2,4-dichlorobenzene |
| InChI Key | RGLQSFFFIREZFV-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |