Benzene and substituted derivatives
Filtered Search Results
Ethyl p-Toluate 99.0+%, TCI America™
CAS: 94-08-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009117 InChI Key: NWPWRAWAUYIELB-UHFFFAOYSA-N Synonym: ethyl p-toluate,ethyl p-methylbenzoate,benzoic acid, 4-methyl-, ethyl ester,4-methylbenzoic acid ethyl ester,unii-xuf0sq8l2j,p-toluic acid ethyl ester,xuf0sq8l2j,p-toluic acid, ethyl ester,4-methyl-benzoic acid ethyl ester,ethyl4-methylbenzoate PubChem CID: 66743 IUPAC Name: ethyl 4-methylbenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C
| PubChem CID | 66743 |
|---|---|
| CAS | 94-08-6 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009117 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C |
| Synonym | ethyl p-toluate,ethyl p-methylbenzoate,benzoic acid, 4-methyl-, ethyl ester,4-methylbenzoic acid ethyl ester,unii-xuf0sq8l2j,p-toluic acid ethyl ester,xuf0sq8l2j,p-toluic acid, ethyl ester,4-methyl-benzoic acid ethyl ester,ethyl4-methylbenzoate |
| IUPAC Name | ethyl 4-methylbenzoate |
| InChI Key | NWPWRAWAUYIELB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
o-Tolualdehyde 98.0+%, TCI America™
CAS: 529-20-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00003338 InChI Key: BTFQKIATRPGRBS-UHFFFAOYSA-N Synonym: o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde PubChem CID: 10722 ChEBI: CHEBI:27434 IUPAC Name: 2-methylbenzaldehyde SMILES: CC1=CC=CC=C1C=O
| PubChem CID | 10722 |
|---|---|
| CAS | 529-20-4 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:27434 |
| MDL Number | MFCD00003338 |
| SMILES | CC1=CC=CC=C1C=O |
| Synonym | o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde |
| IUPAC Name | 2-methylbenzaldehyde |
| InChI Key | BTFQKIATRPGRBS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
4-Methylphthalic Acid 98.0+%, TCI America™
CAS: 4316-23-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00041946 InChI Key: CWJJAFQCTXFSTA-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-methyl,phthalic acid, 4-methyl,4-methyl phthalic acid,4-methyl-phthalic acid,4-methylbenzene-1,2-dicarboxylic acid,4-methyl-1,2-benzenedicarboxylic acid,4-methyl-o-phthalate,4-methylphthalicacid,acmc-1amca,4-methylphthalic acid PubChem CID: 20310 IUPAC Name: 4-methylphthalic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)C(=O)O
| PubChem CID | 20310 |
|---|---|
| CAS | 4316-23-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00041946 |
| SMILES | CC1=CC(=C(C=C1)C(=O)O)C(=O)O |
| Synonym | 1,2-benzenedicarboxylic acid, 4-methyl,phthalic acid, 4-methyl,4-methyl phthalic acid,4-methyl-phthalic acid,4-methylbenzene-1,2-dicarboxylic acid,4-methyl-1,2-benzenedicarboxylic acid,4-methyl-o-phthalate,4-methylphthalicacid,acmc-1amca,4-methylphthalic acid |
| IUPAC Name | 4-methylphthalic acid |
| InChI Key | CWJJAFQCTXFSTA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
3-Chloro-4-fluorobenzaldehyde 98.0+%, TCI America™
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 |
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 |
3-Bromo-4-fluorobenzaldehyde 97.0+%, TCI America™
CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F
| PubChem CID | 173604 |
|---|---|
| CAS | 77771-02-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00042186 |
| SMILES | C1=CC(=C(C=C1C=O)Br)F |
| Synonym | 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde |
| IUPAC Name | 3-bromo-4-fluorobenzaldehyde |
| InChI Key | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
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 |
| Molecular Weight (g/mol) | 179.966 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C(=CC=C1)C=O)OC)(O)O |
| InChI Key | DUROSIJIMLRFHR-UHFFFAOYSA-N |
| PubChem CID | 16218167 |
| CAS | 480424-49-5 |
| MDL Number | MFCD08689486 |
| TSCA | No |
| Recommended Storage | Refrigerator |
| IUPAC Name | (3-formyl-2-methoxyphenyl)boronic acid |
| Molecular Formula | C8H9BO4 |
| Formula Weight | 179.97 |
| Melting Point | 128°C |
1-(4-Carboxyphenyl)-5-mercapto-1H-tetrazole 95.0+%, TCI America™
CAS: 23249-95-8 Molecular Formula: C8H6N4O2S Molecular Weight (g/mol): 222.22 MDL Number: MFCD01074835 InChI Key: GDVFHEXRJFFDDB-UHFFFAOYSA-N Synonym: 1-(4-Carboxyphenyl)-1H-tetrazole-5-thiol, 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic Acid PubChem CID: 13651022 IUPAC Name: 4-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)N1NN=NC1=S
| PubChem CID | 13651022 |
|---|---|
| CAS | 23249-95-8 |
| Molecular Weight (g/mol) | 222.22 |
| MDL Number | MFCD01074835 |
| SMILES | OC(=O)C1=CC=C(C=C1)N1NN=NC1=S |
| Synonym | 1-(4-Carboxyphenyl)-1H-tetrazole-5-thiol, 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic Acid |
| IUPAC Name | 4-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzoic acid |
| InChI Key | GDVFHEXRJFFDDB-UHFFFAOYSA-N |
| Molecular Formula | C8H6N4O2S |
Diethyl 4,4'-Biphenyldicarboxylate 98.0+%, TCI America™
CAS: 47230-38-6 Molecular Formula: C18H18O4 Molecular Weight (g/mol): 298.34 MDL Number: MFCD00017270 InChI Key: SYTZNHBXNLYWAK-UHFFFAOYSA-N Synonym: diethyl 4,4'-biphenyldicarboxylate,diethyl biphenyl-4,4'-dicarboxylate,diethyl 1,1'-biphenyl-4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonylphenyl benzoate,diethyl-4,4'-diphenyldicarboxylate,diethyl biphenyl 4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonyl phenyl benzoate,4,4'-biphenyldicarboxylic acid diethyl ester,4,4'-diethyl 1,1'-biphenyl-4,4'-dicarboxylate,acmc-1apwf PubChem CID: 261553 IUPAC Name: 4,4'-diethyl [1,1'-biphenyl]-4,4'-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC
| PubChem CID | 261553 |
|---|---|
| CAS | 47230-38-6 |
| Molecular Weight (g/mol) | 298.34 |
| MDL Number | MFCD00017270 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC |
| Synonym | diethyl 4,4'-biphenyldicarboxylate,diethyl biphenyl-4,4'-dicarboxylate,diethyl 1,1'-biphenyl-4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonylphenyl benzoate,diethyl-4,4'-diphenyldicarboxylate,diethyl biphenyl 4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonyl phenyl benzoate,4,4'-biphenyldicarboxylic acid diethyl ester,4,4'-diethyl 1,1'-biphenyl-4,4'-dicarboxylate,acmc-1apwf |
| IUPAC Name | 4,4'-diethyl [1,1'-biphenyl]-4,4'-dicarboxylate |
| InChI Key | SYTZNHBXNLYWAK-UHFFFAOYSA-N |
| Molecular Formula | C18H18O4 |
4-Chloro-1-iodo-2-nitrobenzene 98.0+%, TCI America™
CAS: 5446-05-9 Molecular Formula: C6H3ClINO2 Molecular Weight (g/mol): 283.45 MDL Number: MFCD11226294 InChI Key: ZLQFWQOAQQBLLZ-UHFFFAOYSA-N PubChem CID: 226566 IUPAC Name: 4-chloro-1-iodo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])I
| PubChem CID | 226566 |
|---|---|
| CAS | 5446-05-9 |
| Molecular Weight (g/mol) | 283.45 |
| MDL Number | MFCD11226294 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])I |
| IUPAC Name | 4-chloro-1-iodo-2-nitrobenzene |
| InChI Key | ZLQFWQOAQQBLLZ-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClINO2 |
4,4'-Diiodo-3,3'-dimethylbiphenyl 98.0+%, TCI America™
CAS: 7583-27-9 Molecular Formula: C14H12I2 Molecular Weight (g/mol): 434.059 MDL Number: MFCD04038414 InChI Key: ISWXEMYZGWXIIZ-UHFFFAOYSA-N PubChem CID: 22323609 IUPAC Name: 1-iodo-4-(4-iodo-3-methylphenyl)-2-methylbenzene SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)I)C)I
| PubChem CID | 22323609 |
|---|---|
| CAS | 7583-27-9 |
| Molecular Weight (g/mol) | 434.059 |
| MDL Number | MFCD04038414 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)I)C)I |
| IUPAC Name | 1-iodo-4-(4-iodo-3-methylphenyl)-2-methylbenzene |
| InChI Key | ISWXEMYZGWXIIZ-UHFFFAOYSA-N |
| Molecular Formula | C14H12I2 |
1-Iodo-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
CAS: 198206-33-6 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD01090992 InChI Key: UQZXQSQWKJZHCD-UHFFFAOYSA-N Synonym: 1-iodo-3-trifluoromethoxy benzene,3-trifluoromethoxy iodobenzene,3-iodo-1-trifluoromethoxy benzene,m-iodotrifluoromethoxybenzene,1-iodo-3-trifluoromethoxy-benzene,benzene, 1-iodo-3-trifluoromethoxy,pubchem4438,acmc-1c5ss,3-trifluoromethoxyiodobenzene,ksc494i7t PubChem CID: 2777293 IUPAC Name: 1-iodo-3-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC(I)=C1
| PubChem CID | 2777293 |
|---|---|
| CAS | 198206-33-6 |
| Molecular Weight (g/mol) | 288.01 |
| MDL Number | MFCD01090992 |
| SMILES | FC(F)(F)OC1=CC=CC(I)=C1 |
| Synonym | 1-iodo-3-trifluoromethoxy benzene,3-trifluoromethoxy iodobenzene,3-iodo-1-trifluoromethoxy benzene,m-iodotrifluoromethoxybenzene,1-iodo-3-trifluoromethoxy-benzene,benzene, 1-iodo-3-trifluoromethoxy,pubchem4438,acmc-1c5ss,3-trifluoromethoxyiodobenzene,ksc494i7t |
| IUPAC Name | 1-iodo-3-(trifluoromethoxy)benzene |
| InChI Key | UQZXQSQWKJZHCD-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3IO |
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 |
Diallyl Phthalate 98.0+%, TCI America™
CAS: 131-17-9 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00008646 InChI Key: QUDWYFHPNIMBFC-UHFFFAOYSA-N Synonym: diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st PubChem CID: 8560 IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
| PubChem CID | 8560 |
|---|---|
| CAS | 131-17-9 |
| Molecular Weight (g/mol) | 246.262 |
| MDL Number | MFCD00008646 |
| SMILES | C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C |
| Synonym | diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st |
| IUPAC Name | bis(prop-2-enyl) benzene-1,2-dicarboxylate |
| InChI Key | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |