Benzenoids
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3-Chloro-4-fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 34328-61-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00011735 InChI Key: GVORVQPNNSASDM-UHFFFAOYSA-N Synonym: 3-chloro-4-fluoro-benzaldehyde,benzaldehyde, 3-chloro-4-fluoro,3-chloro-4-fluorobenzaldehyde,,pubchem1409,acmc-1bmpv,3-chloro4-fluorobenzaldehyde,ksc496c9d,3-chloro-4fluoro-benzaldehyde,4-fluoro-3-chlorobenzaldehyde,3-chloro,4-fluorobenzaldehyde; PubChem CID: 593866 IUPAC Name: 3-chloro-4-fluorobenzaldehyde SMILES: FC1=CC=C(C=O)C=C1Cl
| PubChem CID | 593866 |
|---|---|
| CAS | 34328-61-5 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD00011735 |
| SMILES | FC1=CC=C(C=O)C=C1Cl |
| Synonym | 3-chloro-4-fluoro-benzaldehyde,benzaldehyde, 3-chloro-4-fluoro,3-chloro-4-fluorobenzaldehyde,,pubchem1409,acmc-1bmpv,3-chloro4-fluorobenzaldehyde,ksc496c9d,3-chloro-4fluoro-benzaldehyde,4-fluoro-3-chlorobenzaldehyde,3-chloro,4-fluorobenzaldehyde; |
| IUPAC Name | 3-chloro-4-fluorobenzaldehyde |
| InChI Key | GVORVQPNNSASDM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
3-Phenylphenol 97.0+%, TCI America™
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CAS: 580-51-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002294 InChI Key: UBXYXCRCOKCZIT-UHFFFAOYSA-N Synonym: 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o PubChem CID: 11381 ChEBI: CHEBI:34338 IUPAC Name: [1,1'-biphenyl]-3-ol SMILES: OC1=CC=CC(=C1)C1=CC=CC=C1
| PubChem CID | 11381 |
|---|---|
| CAS | 580-51-8 |
| Molecular Weight (g/mol) | 170.21 |
| ChEBI | CHEBI:34338 |
| MDL Number | MFCD00002294 |
| SMILES | OC1=CC=CC(=C1)C1=CC=CC=C1 |
| Synonym | 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o |
| IUPAC Name | [1,1'-biphenyl]-3-ol |
| InChI Key | UBXYXCRCOKCZIT-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |
Methyl 5-Allyl-3-methoxysalicylate 98.0+%, TCI America™
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CAS: 85614-43-3 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD04038819 InChI Key: LYSUGZLJKRSLHM-UHFFFAOYSA-N Synonym: 5-Allyl-3-methoxysalicylic Acid Methyl Ester, Methyl 5-Allyl-2-hydroxy-3-methoxybenzoate, 5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester PubChem CID: 3020842 IUPAC Name: methyl 2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoate SMILES: COC(=O)C1=CC(CC=C)=CC(OC)=C1O
| PubChem CID | 3020842 |
|---|---|
| CAS | 85614-43-3 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD04038819 |
| SMILES | COC(=O)C1=CC(CC=C)=CC(OC)=C1O |
| Synonym | 5-Allyl-3-methoxysalicylic Acid Methyl Ester, Methyl 5-Allyl-2-hydroxy-3-methoxybenzoate, 5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoate |
| InChI Key | LYSUGZLJKRSLHM-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
3-Methoxyphenethyl Alcohol 98.0+%, TCI America™
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CAS: 5020-41-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00002893 InChI Key: UPPGEJSCUZMCMW-UHFFFAOYSA-N Synonym: 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol PubChem CID: 78724 IUPAC Name: 2-(3-methoxyphenyl)ethanol SMILES: COC1=CC=CC(=C1)CCO
| PubChem CID | 78724 |
|---|---|
| CAS | 5020-41-7 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00002893 |
| SMILES | COC1=CC=CC(=C1)CCO |
| Synonym | 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol |
| IUPAC Name | 2-(3-methoxyphenyl)ethanol |
| InChI Key | UPPGEJSCUZMCMW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3,5-Difluorophenol 98.0+%, TCI America™
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CAS: 2713-34-0 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.09 MDL Number: MFCD00002255 InChI Key: HJSSBIMVTMYKPD-UHFFFAOYSA-N Synonym: phenol, 3,5-difluoro,3,5-difluoro phenol,phenol,3,5-difluoro,3,5difluorophenol,3,5-difluorphenol,3.5-difluorophenol,3,5-difluoro-phenol,phenol derivative, 6,pubchem1496,acmc-209gvc PubChem CID: 75928 IUPAC Name: 3,5-difluorophenol SMILES: OC1=CC(F)=CC(F)=C1
| PubChem CID | 75928 |
|---|---|
| CAS | 2713-34-0 |
| Molecular Weight (g/mol) | 130.09 |
| MDL Number | MFCD00002255 |
| SMILES | OC1=CC(F)=CC(F)=C1 |
| Synonym | phenol, 3,5-difluoro,3,5-difluoro phenol,phenol,3,5-difluoro,3,5difluorophenol,3,5-difluorphenol,3.5-difluorophenol,3,5-difluoro-phenol,phenol derivative, 6,pubchem1496,acmc-209gvc |
| IUPAC Name | 3,5-difluorophenol |
| InChI Key | HJSSBIMVTMYKPD-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2O |
Dansyl Fluoride 98.0+%, TCI America™
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CAS: 34523-28-9 Molecular Formula: C12H12FNO2S Molecular Weight (g/mol): 253.291 MDL Number: MFCD00042702 InChI Key: JMHHECQPPFEVMU-UHFFFAOYSA-N Synonym: 5-Dimethylaminonaphthalene-1-sulfonyl Fluoride PubChem CID: 93175 IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonyl fluoride SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F
| PubChem CID | 93175 |
|---|---|
| CAS | 34523-28-9 |
| Molecular Weight (g/mol) | 253.291 |
| MDL Number | MFCD00042702 |
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F |
| Synonym | 5-Dimethylaminonaphthalene-1-sulfonyl Fluoride |
| IUPAC Name | 5-(dimethylamino)naphthalene-1-sulfonyl fluoride |
| InChI Key | JMHHECQPPFEVMU-UHFFFAOYSA-N |
| Molecular Formula | C12H12FNO2S |
2,7-Dibromo-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™
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CAS: 171408-84-7 Molecular Formula: C25H14Br2 Molecular Weight (g/mol): 474.20 MDL Number: MFCD08704218 InChI Key: UPJLZKCEPFAKSH-UHFFFAOYSA-N PubChem CID: 15544767 IUPAC Name: 2,7-dibromo-9,9'-spirobi[fluorene] SMILES: BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 15544767 |
|---|---|
| CAS | 171408-84-7 |
| Molecular Weight (g/mol) | 474.20 |
| MDL Number | MFCD08704218 |
| SMILES | BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=CC=CC=C2C2=CC=CC=C12 |
| IUPAC Name | 2,7-dibromo-9,9'-spirobi[fluorene] |
| InChI Key | UPJLZKCEPFAKSH-UHFFFAOYSA-N |
| Molecular Formula | C25H14Br2 |
Pentafluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| MDL Number | MFCD01074663 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
| Formula Weight | 211.88 |
| Melting Point | 290°C |
3-Methoxy-2-naphthoic Acid 98.0+%, TCI America™
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CAS: 883-62-5 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00094168 InChI Key: RTBQQRFTCVDODF-UHFFFAOYSA-N PubChem CID: 70161 IUPAC Name: 3-methoxynaphthalene-2-carboxylic acid SMILES: COC1=C(C=C2C=CC=CC2=C1)C(O)=O
| PubChem CID | 70161 |
|---|---|
| CAS | 883-62-5 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00094168 |
| SMILES | COC1=C(C=C2C=CC=CC2=C1)C(O)=O |
| IUPAC Name | 3-methoxynaphthalene-2-carboxylic acid |
| InChI Key | RTBQQRFTCVDODF-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
4-Bromo-DL-mandelic Acid 98.0+%, TCI America™
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CAS: 6940-50-7 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00004232 InChI Key: BHZBRPQOYFDTAB-UHFFFAOYNA-N Synonym: 4-bromomandelic acid,2-4-bromophenyl-2-hydroxyacetic acid,p-bromomandelic acid,p-bromo mandelic acid,4-bromo-dl-mandelic acid,benzeneacetic acid, 4-bromo-.alpha.-hydroxy,4-bromophenyl hydroxy acetic acid,4-bromo-alpha-hydroxyphenylacetic acid,4-bromo-hydroxybenzeneaceticacid,mandelic acid, p-bromo PubChem CID: 97930 IUPAC Name: 2-(4-bromophenyl)-2-hydroxyacetic acid SMILES: OC(C(O)=O)C1=CC=C(Br)C=C1
| PubChem CID | 97930 |
|---|---|
| CAS | 6940-50-7 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD00004232 |
| SMILES | OC(C(O)=O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromomandelic acid,2-4-bromophenyl-2-hydroxyacetic acid,p-bromomandelic acid,p-bromo mandelic acid,4-bromo-dl-mandelic acid,benzeneacetic acid, 4-bromo-.alpha.-hydroxy,4-bromophenyl hydroxy acetic acid,4-bromo-alpha-hydroxyphenylacetic acid,4-bromo-hydroxybenzeneaceticacid,mandelic acid, p-bromo |
| IUPAC Name | 2-(4-bromophenyl)-2-hydroxyacetic acid |
| InChI Key | BHZBRPQOYFDTAB-UHFFFAOYNA-N |
| Molecular Formula | C8H7BrO3 |
2,4,5-Trifluorobenzaldehyde 98.0+%, TCI America™
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CAS: 165047-24-5 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.095 MDL Number: MFCD00061196 InChI Key: CYIFJRXFYSUBFW-UHFFFAOYSA-N Synonym: 2,4,5-trifluoro benzaldehyde,benzaldehyde, 2,4,5-trifluoro,benzaldehyde, 2,4,5-trifluoro-9ci,pubchem1468,pubchem4258,intermediates-zcf02238,acmc-209ds3,2,4,5-trifluorbenzaldehyde,2,4,5-trifluorobenzoaldehyde,ksc494i3d PubChem CID: 519278 IUPAC Name: 2,4,5-trifluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)F)F)C=O
| PubChem CID | 519278 |
|---|---|
| CAS | 165047-24-5 |
| Molecular Weight (g/mol) | 160.095 |
| MDL Number | MFCD00061196 |
| SMILES | C1=C(C(=CC(=C1F)F)F)C=O |
| Synonym | 2,4,5-trifluoro benzaldehyde,benzaldehyde, 2,4,5-trifluoro,benzaldehyde, 2,4,5-trifluoro-9ci,pubchem1468,pubchem4258,intermediates-zcf02238,acmc-209ds3,2,4,5-trifluorbenzaldehyde,2,4,5-trifluorobenzoaldehyde,ksc494i3d |
| IUPAC Name | 2,4,5-trifluorobenzaldehyde |
| InChI Key | CYIFJRXFYSUBFW-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-homophenylalanine 98.0+%, TCI America™
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p-Anisaldehyde Dimethyl Acetal 97.0+%, TCI America™
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CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1
| PubChem CID | 75140 |
|---|---|
| CAS | 2186-92-7 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00036507 |
| SMILES | COC(OC)C1=CC=C(OC)C=C1 |
| Synonym | 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal |
| IUPAC Name | 1-(dimethoxymethyl)-4-methoxybenzene |
| InChI Key | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
Methyl 4-Nitrobenzoate 98.0+%, TCI America™
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CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 12083 |
|---|---|
| CAS | 619-50-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007350 |
| SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 4-nitrobenzoate |
| InChI Key | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
1,4-Diphenyl-2-butyne-1,4-dione 96.0+%, TCI America™
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CAS: 1087-09-8 Molecular Formula: C16H10O2 Molecular Weight (g/mol): 234.254 InChI Key: BLCJVQFFSUNDMV-UHFFFAOYSA-N Synonym: Dibenzoylacetylene PubChem CID: 227980 IUPAC Name: 1,4-diphenylbut-2-yne-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C#CC(=O)C2=CC=CC=C2
| PubChem CID | 227980 |
|---|---|
| CAS | 1087-09-8 |
| Molecular Weight (g/mol) | 234.254 |
| SMILES | C1=CC=C(C=C1)C(=O)C#CC(=O)C2=CC=CC=C2 |
| Synonym | Dibenzoylacetylene |
| IUPAC Name | 1,4-diphenylbut-2-yne-1,4-dione |
| InChI Key | BLCJVQFFSUNDMV-UHFFFAOYSA-N |
| Molecular Formula | C16H10O2 |