Benzene and substituted derivatives
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2,2',4,4'-Tetramethylbenzophenone 96.0+%, TCI America™
CAS: 3478-88-4 Molecular Formula: C17H18O Molecular Weight (g/mol): 238.33 MDL Number: MFCD00060094 InChI Key: KFNQSAKXSGGDAA-UHFFFAOYSA-N PubChem CID: 12274022 IUPAC Name: bis(2,4-dimethylphenyl)methanone SMILES: CC1=CC(C)=C(C=C1)C(=O)C1=C(C)C=C(C)C=C1
| PubChem CID | 12274022 |
|---|---|
| CAS | 3478-88-4 |
| Molecular Weight (g/mol) | 238.33 |
| MDL Number | MFCD00060094 |
| SMILES | CC1=CC(C)=C(C=C1)C(=O)C1=C(C)C=C(C)C=C1 |
| IUPAC Name | bis(2,4-dimethylphenyl)methanone |
| InChI Key | KFNQSAKXSGGDAA-UHFFFAOYSA-N |
| Molecular Formula | C17H18O |
Benzyltrimethylammonium Tribromide 97.0+%, TCI America™
CAS: 111865-47-5 Molecular Formula: C10H17Br3N+ Molecular Weight (g/mol): 390.965 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
| PubChem CID | 86222689 |
|---|---|
| CAS | 111865-47-5 |
| Molecular Weight (g/mol) | 390.965 |
| MDL Number | MFCD00134423 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr |
| Synonym | benzyltrimethylammonium tribromide |
| IUPAC Name | benzyl(trimethyl)azanium;molecular bromine;hydrobromide |
| InChI Key | GSDDWZVWOXMLJZ-UHFFFAOYSA-N |
| Molecular Formula | C10H17Br3N+ |
4-Cyano-4'-ethylbiphenyl 98.0+%, TCI America™
CAS: 58743-75-2 Molecular Formula: C15H13N Molecular Weight (g/mol): 207.276 MDL Number: MFCD00799420 InChI Key: DLLIPJSMDJCZRF-UHFFFAOYSA-N Synonym: 4-cyano-4'-ethylbiphenyl,4'-ethyl-1,1'-biphenyl-4-carbonitrile,4-ethyl-4'-cyanobiphenyl,4-4-ethylphenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-ethyl,4'-ethylbiphenyl-4-carbonitrile,4-4-ethylphenyl benzenecarbonitrile,pubchem2521,4'-ethyl-4-cyanobiphenyl PubChem CID: 93890 IUPAC Name: 4-(4-ethylphenyl)benzonitrile SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 93890 |
|---|---|
| CAS | 58743-75-2 |
| Molecular Weight (g/mol) | 207.276 |
| MDL Number | MFCD00799420 |
| SMILES | CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-cyano-4'-ethylbiphenyl,4'-ethyl-1,1'-biphenyl-4-carbonitrile,4-ethyl-4'-cyanobiphenyl,4-4-ethylphenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-ethyl,4'-ethylbiphenyl-4-carbonitrile,4-4-ethylphenyl benzenecarbonitrile,pubchem2521,4'-ethyl-4-cyanobiphenyl |
| IUPAC Name | 4-(4-ethylphenyl)benzonitrile |
| InChI Key | DLLIPJSMDJCZRF-UHFFFAOYSA-N |
| Molecular Formula | C15H13N |
1,3,5-Tris(4-bromophenyl)benzene 98.0+%, TCI America™
CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
| PubChem CID | 232761 |
|---|---|
| CAS | 7511-49-1 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD00362911 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br |
| Synonym | 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' |
| IUPAC Name | 1,3,5-tris(4-bromophenyl)benzene |
| InChI Key | HJQRITCAXSBOPC-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
4'-(trans-4-Amylcyclohexyl)biphenyl-4-carbonitrile 98.0+%, TCI America™
CAS: 68065-81-6 Molecular Formula: C24H29N Molecular Weight (g/mol): 331.503 MDL Number: MFCD01076317 InChI Key: QKEBUASRTJNJJS-UHFFFAOYSA-N Synonym: 4'-trans-4-pentylcyclohexyl-1,1'-biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl-4-biphenylcarbonitrile,trans-4-4-pentylcyclohexyl-4'-cyanobiphenyl,4-trans-4-n-pentylcyclohexyl biphenyl-4'-carbonitrile,4-4-4-pentylcyclohexyl phenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-trans-4-pentylcyclohexyl,4-cyano-4'-trans-4-pentylcyclohexyl biphenyl,4'-trans-4-amylcyclohexyl biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl 1,1'-biphenyl-4-carbonitrile PubChem CID: 106491 IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
| PubChem CID | 106491 |
|---|---|
| CAS | 68065-81-6 |
| Molecular Weight (g/mol) | 331.503 |
| MDL Number | MFCD01076317 |
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
| Synonym | 4'-trans-4-pentylcyclohexyl-1,1'-biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl-4-biphenylcarbonitrile,trans-4-4-pentylcyclohexyl-4'-cyanobiphenyl,4-trans-4-n-pentylcyclohexyl biphenyl-4'-carbonitrile,4-4-4-pentylcyclohexyl phenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-trans-4-pentylcyclohexyl,4-cyano-4'-trans-4-pentylcyclohexyl biphenyl,4'-trans-4-amylcyclohexyl biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl 1,1'-biphenyl-4-carbonitrile |
| IUPAC Name | 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile |
| InChI Key | QKEBUASRTJNJJS-UHFFFAOYSA-N |
| Molecular Formula | C24H29N |
4-Bromo-2,6-difluorobenzaldehyde 98.0+%, TCI America™
CAS: 537013-51-7 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.00 MDL Number: MFCD03094459 InChI Key: CZGVAISJIQNQEJ-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluorobenzylaldehyde,4-bromo-2,6-difluoro-benzaldehyde,benzaldehyde, 4-bromo-2,6-difluoro,2,6-difluoro-4-bromobenzaldehyde,2,6-difluoro-4-bromo benzaldehyde,pubchem4165,acmc-209l9s,ksc911q5f,4-bromo 2,6-difluorobenzaldehyde,2,6-difluoro-4-bromo-benzaldehyde PubChem CID: 2773290 IUPAC Name: 4-bromo-2,6-difluorobenzaldehyde SMILES: FC1=CC(Br)=CC(F)=C1C=O
| PubChem CID | 2773290 |
|---|---|
| CAS | 537013-51-7 |
| Molecular Weight (g/mol) | 221.00 |
| MDL Number | MFCD03094459 |
| SMILES | FC1=CC(Br)=CC(F)=C1C=O |
| Synonym | 4-bromo-2,6-difluorobenzylaldehyde,4-bromo-2,6-difluoro-benzaldehyde,benzaldehyde, 4-bromo-2,6-difluoro,2,6-difluoro-4-bromobenzaldehyde,2,6-difluoro-4-bromo benzaldehyde,pubchem4165,acmc-209l9s,ksc911q5f,4-bromo 2,6-difluorobenzaldehyde,2,6-difluoro-4-bromo-benzaldehyde |
| IUPAC Name | 4-bromo-2,6-difluorobenzaldehyde |
| InChI Key | CZGVAISJIQNQEJ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF2O |
4-Acetamidobenzoic Acid 98.0+%, TCI America™
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 |
Hexyl Benzoate 98.0+%, TCI America™
CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 23235 |
|---|---|
| CAS | 6789-88-4 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00051714 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 |
| IUPAC Name | hexyl benzoate |
| InChI Key | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
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 |
Diisobutyl Phthalate 98.0+%, TCI America™
CAS: 84-69-5 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00026480 InChI Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N Synonym: diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate PubChem CID: 6782 ChEBI: CHEBI:79053 IUPAC Name: 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
| PubChem CID | 6782 |
|---|---|
| CAS | 84-69-5 |
| Molecular Weight (g/mol) | 278.35 |
| ChEBI | CHEBI:79053 |
| MDL Number | MFCD00026480 |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| Synonym | diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate |
| IUPAC Name | 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate |
| InChI Key | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| Molecular Formula | C16H22O4 |
4-Bromo-2-chlorobenzaldehyde 97.0+%, TCI America™
CAS: 158435-41-7 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08741413 InChI Key: DHGPLNJITGVCSG-UHFFFAOYSA-N PubChem CID: 14109109 IUPAC Name: 4-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=CC(Br)=C1
| PubChem CID | 14109109 |
|---|---|
| CAS | 158435-41-7 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD08741413 |
| SMILES | ClC1=C(C=O)C=CC(Br)=C1 |
| IUPAC Name | 4-bromo-2-chlorobenzaldehyde |
| InChI Key | DHGPLNJITGVCSG-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
2-Amino-5-bromobenzaldehyde 98.0+%, TCI America™
CAS: 29124-57-0 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD10696879 InChI Key: VBYZWJMZASVGNB-UHFFFAOYSA-N Synonym: 2-amino-5-bromobenzenecarbaldehyde,5-bromoanthranilaldehyde,4-bromo-2-formylaniline,benzaldehyde,2-amino-5-bromo,benzaldehyde, 2-amino-5-bromo,pubchem19693,aminobromobenzenecarbaldehyde,2-amino-5-bromobenzaidehyde,2-amino-5-bromo-benzaldehyde PubChem CID: 23510475 IUPAC Name: 2-amino-5-bromobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)N
| PubChem CID | 23510475 |
|---|---|
| CAS | 29124-57-0 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD10696879 |
| SMILES | C1=CC(=C(C=C1Br)C=O)N |
| Synonym | 2-amino-5-bromobenzenecarbaldehyde,5-bromoanthranilaldehyde,4-bromo-2-formylaniline,benzaldehyde,2-amino-5-bromo,benzaldehyde, 2-amino-5-bromo,pubchem19693,aminobromobenzenecarbaldehyde,2-amino-5-bromobenzaidehyde,2-amino-5-bromo-benzaldehyde |
| IUPAC Name | 2-amino-5-bromobenzaldehyde |
| InChI Key | VBYZWJMZASVGNB-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
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 |
Benzoyl Cyanide 98.0+%, TCI America™
CAS: 613-90-1 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.134 MDL Number: MFCD00001837 InChI Key: GJQBHOAJJGIPRH-UHFFFAOYSA-N Synonym: phenylglyoxylonitrile,benzoyl nitrile,benzoylcyanide,oxo phenyl acetonitrile,alpha-oxobenzeneacetonitrile,benzeneacetonitrile, .alpha.-oxo,glyoxylonitrile, phenyl,alpha-oxo-alpha-tolunitrile,2-oxo-2-phenylethanenitrile,alpha-tolunitrile, alpha-oxo PubChem CID: 11953 ChEBI: CHEBI:51853 IUPAC Name: benzoyl cyanide SMILES: C1=CC=C(C=C1)C(=O)C#N
| PubChem CID | 11953 |
|---|---|
| CAS | 613-90-1 |
| Molecular Weight (g/mol) | 131.134 |
| ChEBI | CHEBI:51853 |
| MDL Number | MFCD00001837 |
| SMILES | C1=CC=C(C=C1)C(=O)C#N |
| Synonym | phenylglyoxylonitrile,benzoyl nitrile,benzoylcyanide,oxo phenyl acetonitrile,alpha-oxobenzeneacetonitrile,benzeneacetonitrile, .alpha.-oxo,glyoxylonitrile, phenyl,alpha-oxo-alpha-tolunitrile,2-oxo-2-phenylethanenitrile,alpha-tolunitrile, alpha-oxo |
| IUPAC Name | benzoyl cyanide |
| InChI Key | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
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 |