Benzene and substituted derivatives
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2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™
CAS: 380151-85-9 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD07363841 InChI Key: SLJMPQLPRHIAOM-UHFFFAOYSA-N Synonym: 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester PubChem CID: 10977322 IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O
| PubChem CID | 10977322 |
|---|---|
| CAS | 380151-85-9 |
| Molecular Weight (g/mol) | 232.09 |
| MDL Number | MFCD07363841 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O |
| Synonym | 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester |
| IUPAC Name | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI Key | SLJMPQLPRHIAOM-UHFFFAOYSA-N |
| Molecular Formula | C13H17BO3 |
4-n-Octylbenzoic Acid 97.0+%, TCI America™
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 19147 |
|---|---|
| CAS | 3575-31-3 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00042649 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 |
| IUPAC Name | 4-octylbenzoic acid |
| InChI Key | ZQLDNJKHLQOJGE-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
3-Cyanobenzoic Acid 98.0+%, TCI America™
CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N
| PubChem CID | 15875 |
|---|---|
| CAS | 1877-72-1 |
| Molecular Weight (g/mol) | 147.133 |
| MDL Number | MFCD00002486 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C#N |
| Synonym | m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid |
| IUPAC Name | 3-cyanobenzoic acid |
| InChI Key | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
3-Fluorobenzaldehyde 97.0+%, TCI America™
CAS: 456-48-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003348 InChI Key: PIKNVEVCWAAOMJ-UHFFFAOYSA-N Synonym: m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477 PubChem CID: 68009 IUPAC Name: 3-fluorobenzaldehyde SMILES: C1=CC(=CC(=C1)F)C=O
| PubChem CID | 68009 |
|---|---|
| CAS | 456-48-4 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003348 |
| SMILES | C1=CC(=CC(=C1)F)C=O |
| Synonym | m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477 |
| IUPAC Name | 3-fluorobenzaldehyde |
| InChI Key | PIKNVEVCWAAOMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
3-Methyl-2-butenyl Benzoate 98.0+%, TCI America™
CAS: 5205-11-8 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00036570 InChI Key: INVWRXWYYVMFQC-UHFFFAOYSA-N Synonym: Benzoic Acid 3-Methyl-2-butenyl Ester, Benzoic Acid Prenyl Ester, Prenyl Benzoate PubChem CID: 21265 IUPAC Name: 3-methylbut-2-enyl benzoate SMILES: CC(=CCOC(=O)C1=CC=CC=C1)C
| PubChem CID | 21265 |
|---|---|
| CAS | 5205-11-8 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00036570 |
| SMILES | CC(=CCOC(=O)C1=CC=CC=C1)C |
| Synonym | Benzoic Acid 3-Methyl-2-butenyl Ester, Benzoic Acid Prenyl Ester, Prenyl Benzoate |
| IUPAC Name | 3-methylbut-2-enyl benzoate |
| InChI Key | INVWRXWYYVMFQC-UHFFFAOYSA-N |
| Molecular Formula | C12H14O2 |
3-(1-Cyanoethyl)benzoic Acid 98.0+%, TCI America™
CAS: 5537-71-3 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00002520 InChI Key: IRYIYPWRXROPSX-UHFFFAOYNA-N Synonym: 3-1-cyanoethyl benzoic acid,m-1-cyanoethyl benzoic acid,benzoic acid, 3-1-cyanoethyl,zlchem 504,acmc-1b01z,3-1-cyanethyl benzoesaeure,3-1-cyanoethyl benzoicacid,3-l-cyanoethyl benzoic acid,3-1-cyanethyl benzoic acid,meta-1-cyanoethyl benzoic acid PubChem CID: 98370 ChEBI: CHEBI:85131 IUPAC Name: 3-(1-cyanoethyl)benzoic acid SMILES: CC(C#N)C1=CC=CC(=C1)C(O)=O
| PubChem CID | 98370 |
|---|---|
| CAS | 5537-71-3 |
| Molecular Weight (g/mol) | 175.19 |
| ChEBI | CHEBI:85131 |
| MDL Number | MFCD00002520 |
| SMILES | CC(C#N)C1=CC=CC(=C1)C(O)=O |
| Synonym | 3-1-cyanoethyl benzoic acid,m-1-cyanoethyl benzoic acid,benzoic acid, 3-1-cyanoethyl,zlchem 504,acmc-1b01z,3-1-cyanethyl benzoesaeure,3-1-cyanoethyl benzoicacid,3-l-cyanoethyl benzoic acid,3-1-cyanethyl benzoic acid,meta-1-cyanoethyl benzoic acid |
| IUPAC Name | 3-(1-cyanoethyl)benzoic acid |
| InChI Key | IRYIYPWRXROPSX-UHFFFAOYNA-N |
| Molecular Formula | C10H9NO2 |
| PubChem CID | 2734367 |
|---|---|
| CAS | 127972-02-5 |
| MDL Number | MFCD01319044 |
| Color | Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (5-formyl-2-methoxyphenyl)boronic acid |
| InChI Key | NKKNXLPHCRLBDY-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO4 |
| Formula Weight | 179.97 |
4-Chloro-3-fluorobenzaldehyde 97.0+%, TCI America™
CAS: 5527-95-7 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143288 InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa PubChem CID: 2724985 IUPAC Name: 4-chloro-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Cl
| PubChem CID | 2724985 |
|---|---|
| CAS | 5527-95-7 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143288 |
| SMILES | C1=CC(=C(C=C1C=O)F)Cl |
| Synonym | 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa |
| IUPAC Name | 4-chloro-3-fluorobenzaldehyde |
| InChI Key | AZMDWRPTDCIFRD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
Benzoyl Isothiocyanate 97.0+%, TCI America™
CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S
| PubChem CID | 68284 |
|---|---|
| CAS | 532-55-8 |
| Molecular Weight (g/mol) | 163.194 |
| MDL Number | MFCD00004815 |
| SMILES | C1=CC=C(C=C1)C(=O)N=C=S |
| Synonym | benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone |
| IUPAC Name | benzoyl isothiocyanate |
| InChI Key | CPEKAXYCDKETEN-UHFFFAOYSA-N |
| Molecular Formula | C8H5NOS |
4-Chlorobutyl Benzoate 98.0+%, TCI America™
CAS: 946-02-1 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.673 MDL Number: MFCD00019005 InChI Key: XFFQVVCNZAYQSJ-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Chlorobutyl Ester PubChem CID: 136761 IUPAC Name: 4-chlorobutyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
| PubChem CID | 136761 |
|---|---|
| CAS | 946-02-1 |
| Molecular Weight (g/mol) | 212.673 |
| MDL Number | MFCD00019005 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCl |
| Synonym | Benzoic Acid 4-Chlorobutyl Ester |
| IUPAC Name | 4-chlorobutyl benzoate |
| InChI Key | XFFQVVCNZAYQSJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO2 |
3,5-Dimethylbenzaldehyde 96.0+%, TCI America™
CAS: 5779-95-3 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00082777 InChI Key: NBEFMISJJNGCIZ-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde PubChem CID: 34225 IUPAC Name: 3,5-dimethylbenzaldehyde SMILES: CC1=CC(=CC(=C1)C=O)C
| PubChem CID | 34225 |
|---|---|
| CAS | 5779-95-3 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00082777 |
| SMILES | CC1=CC(=CC(=C1)C=O)C |
| Synonym | benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde |
| IUPAC Name | 3,5-dimethylbenzaldehyde |
| InChI Key | NBEFMISJJNGCIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
Biphenyl-2-carboxylic Acid 98.0+%, TCI America™
CAS: 947-84-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002463 InChI Key: ILYSAKHOYBPSPC-UHFFFAOYSA-N Synonym: 2-biphenylcarboxylic acid,1,1'-biphenyl-2-carboxylic acid,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,biphenylcarboxylic acid,1,1'-biphenyl carboxylic acid,diphenyl-2-carboxylic acid,phenylbenzoic acid PubChem CID: 70357 IUPAC Name: 2-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
| PubChem CID | 70357 |
|---|---|
| CAS | 947-84-2 |
| Molecular Weight (g/mol) | 198.221 |
| MDL Number | MFCD00002463 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O |
| Synonym | 2-biphenylcarboxylic acid,1,1'-biphenyl-2-carboxylic acid,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,biphenylcarboxylic acid,1,1'-biphenyl carboxylic acid,diphenyl-2-carboxylic acid,phenylbenzoic acid |
| IUPAC Name | 2-phenylbenzoic acid |
| InChI Key | ILYSAKHOYBPSPC-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
5-Bromo-2-fluorobenzaldehyde 95.0+%, TCI America™
CAS: 93777-26-5 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00070755 InChI Key: MMFGGDVQLQQQRX-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromobenzaldehyde,5-bromo-2-fluoro-benzaldehyde,2-fluoro-5-bromo benzaldehyde,5-bromo-2-fluoro benzaldehyde,benzaldehyde, 5-bromo-2-fluoro,5-brom-2-fluorbenzaldehyd,pubchem2879,acmc-209rnk,3-bromo-6-fluorobenzaldehyde,ksc494e9t PubChem CID: 736327 IUPAC Name: 5-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)F
| PubChem CID | 736327 |
|---|---|
| CAS | 93777-26-5 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00070755 |
| SMILES | C1=CC(=C(C=C1Br)C=O)F |
| Synonym | 2-fluoro-5-bromobenzaldehyde,5-bromo-2-fluoro-benzaldehyde,2-fluoro-5-bromo benzaldehyde,5-bromo-2-fluoro benzaldehyde,benzaldehyde, 5-bromo-2-fluoro,5-brom-2-fluorbenzaldehyd,pubchem2879,acmc-209rnk,3-bromo-6-fluorobenzaldehyde,ksc494e9t |
| IUPAC Name | 5-bromo-2-fluorobenzaldehyde |
| InChI Key | MMFGGDVQLQQQRX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Trimethylene Bis(4-aminobenzoate) 98.0+%, TCI America™
CAS: 57609-64-0 Molecular Formula: C17H18N2O4 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00129765 InChI Key: YPACMOORZSDQDQ-UHFFFAOYSA-N Synonym: 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) PubChem CID: 93312 IUPAC Name: 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate SMILES: NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 93312 |
|---|---|
| CAS | 57609-64-0 |
| Molecular Weight (g/mol) | 314.34 |
| MDL Number | MFCD00129765 |
| SMILES | NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) |
| IUPAC Name | 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate |
| InChI Key | YPACMOORZSDQDQ-UHFFFAOYSA-N |
| Molecular Formula | C17H18N2O4 |