Benzene and substituted derivatives
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3,3'-Diaminobenzophenone 95.0+%, TCI America™
CAS: 611-79-0 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014774 InChI Key: TUQQUUXMCKXGDI-UHFFFAOYSA-N Synonym: 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline PubChem CID: 69145 IUPAC Name: 3-(3-aminobenzoyl)aniline SMILES: NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1
| PubChem CID | 69145 |
|---|---|
| CAS | 611-79-0 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00014774 |
| SMILES | NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1 |
| Synonym | 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline |
| IUPAC Name | 3-(3-aminobenzoyl)aniline |
| InChI Key | TUQQUUXMCKXGDI-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O |
Methyl 2-Bromo-5-chlorobenzoate 98.0+%, TCI America™
CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br
| PubChem CID | 280500 |
|---|---|
| CAS | 27007-53-0 |
| Molecular Weight (g/mol) | 249.488 |
| MDL Number | MFCD00144763 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester |
| IUPAC Name | methyl 2-bromo-5-chlorobenzoate |
| InChI Key | BIECSXCXIXHDBC-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
4-(Trifluoromethylthio)benzaldehyde 90.0+%, TCI America™
CAS: 4021-50-5 Molecular Formula: C8H5F3OS Molecular Weight (g/mol): 206.18 MDL Number: MFCD00129191 InChI Key: OPAXHVNZGUGCKW-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzaldehyde,4-trifluoromethyl thio benzaldehyde,4-trifluoromethyl sulfanyl benzaldehyde,benzaldehyde, 4-trifluoromethyl thio,acmc-1agrc,ksc582m6p,4-trifluomethylthio benzoldehyde,rarechem gt hw 0381 PubChem CID: 2777846 IUPAC Name: 4-[(trifluoromethyl)sulfanyl]benzaldehyde SMILES: FC(F)(F)SC1=CC=C(C=O)C=C1
| PubChem CID | 2777846 |
|---|---|
| CAS | 4021-50-5 |
| Molecular Weight (g/mol) | 206.18 |
| MDL Number | MFCD00129191 |
| SMILES | FC(F)(F)SC1=CC=C(C=O)C=C1 |
| Synonym | 4-trifluoromethylthio benzaldehyde,4-trifluoromethyl thio benzaldehyde,4-trifluoromethyl sulfanyl benzaldehyde,benzaldehyde, 4-trifluoromethyl thio,acmc-1agrc,ksc582m6p,4-trifluomethylthio benzoldehyde,rarechem gt hw 0381 |
| IUPAC Name | 4-[(trifluoromethyl)sulfanyl]benzaldehyde |
| InChI Key | OPAXHVNZGUGCKW-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3OS |
2,2-Bis(4-acetoxyphenyl)propane 98.0+%, TCI America™
CAS: 10192-62-8 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.37 MDL Number: MFCD00026194 InChI Key: NSNHONPMCQYMNT-UHFFFAOYSA-N Synonym: bisphenol a diacetate,2,2-bis 4-acetoxyphenyl propane,phenol, 4,4'-1-methylethylidene bis-, diacetate,propane-2,2-diylbis 4,1-phenylene diacetate,phenol, 4,4'-1-methylethylidene bis-, 1,1'-diacetate,4-2-4-acetyloxyphenyl propan-2-yl phenyl acetate,4-2-4-acetyloxy phenyl propan-2-yl phenyl acetate,4-1-4-acetyloxyphenyl-isopropyl phenyl acetate,4,4'-isopropylidenediphenyl diacetate,propane-2,2-diyldi-4,1-phenylene diacetate PubChem CID: 82437 IUPAC Name: 4-{2-[4-(acetyloxy)phenyl]propan-2-yl}phenyl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(C)=O)C=C1
| PubChem CID | 82437 |
|---|---|
| CAS | 10192-62-8 |
| Molecular Weight (g/mol) | 312.37 |
| MDL Number | MFCD00026194 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(C)=O)C=C1 |
| Synonym | bisphenol a diacetate,2,2-bis 4-acetoxyphenyl propane,phenol, 4,4'-1-methylethylidene bis-, diacetate,propane-2,2-diylbis 4,1-phenylene diacetate,phenol, 4,4'-1-methylethylidene bis-, 1,1'-diacetate,4-2-4-acetyloxyphenyl propan-2-yl phenyl acetate,4-2-4-acetyloxy phenyl propan-2-yl phenyl acetate,4-1-4-acetyloxyphenyl-isopropyl phenyl acetate,4,4'-isopropylidenediphenyl diacetate,propane-2,2-diyldi-4,1-phenylene diacetate |
| IUPAC Name | 4-{2-[4-(acetyloxy)phenyl]propan-2-yl}phenyl acetate |
| InChI Key | NSNHONPMCQYMNT-UHFFFAOYSA-N |
| Molecular Formula | C19H20O4 |
N-[(Trimethylsilyl)methyl]benzylamine 96.0+%, TCI America™
CAS: 53215-95-5 Molecular Formula: C11H19NSi Molecular Weight (g/mol): 193.37 MDL Number: MFCD00012192 InChI Key: WECLUYCAWLJMKM-UHFFFAOYSA-N Synonym: n-trimethylsilylmethyl benzylamine,n-trimethylsilyl methyl benzylamine,benzyl trimethylsilyl methyl amine,n-benzyl-1-trimethylsilyl methylamine,1-phenyl-n-trimethylsilylmethyl methanamine,benzyl trimethylsilylmethyl amine,n-benzyl-1-trimethylsilyl methanamine,benzenemethanamine, n-trimethylsilyl methyl,n-benzylaminomethyltrimethylsilane,n-benzyl-n-trimethylsilyl methyl amine PubChem CID: 353458 IUPAC Name: benzyl[(trimethylsilyl)methyl]amine SMILES: C[Si](C)(C)CNCC1=CC=CC=C1
| PubChem CID | 353458 |
|---|---|
| CAS | 53215-95-5 |
| Molecular Weight (g/mol) | 193.37 |
| MDL Number | MFCD00012192 |
| SMILES | C[Si](C)(C)CNCC1=CC=CC=C1 |
| Synonym | n-trimethylsilylmethyl benzylamine,n-trimethylsilyl methyl benzylamine,benzyl trimethylsilyl methyl amine,n-benzyl-1-trimethylsilyl methylamine,1-phenyl-n-trimethylsilylmethyl methanamine,benzyl trimethylsilylmethyl amine,n-benzyl-1-trimethylsilyl methanamine,benzenemethanamine, n-trimethylsilyl methyl,n-benzylaminomethyltrimethylsilane,n-benzyl-n-trimethylsilyl methyl amine |
| IUPAC Name | benzyl[(trimethylsilyl)methyl]amine |
| InChI Key | WECLUYCAWLJMKM-UHFFFAOYSA-N |
| Molecular Formula | C11H19NSi |
2-Methyl-5-nitrobenzaldehyde 98.0+%, TCI America™
CAS: 16634-91-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD03840506 InChI Key: JLFWTLNLOSUFMU-UHFFFAOYSA-N PubChem CID: 12654145 IUPAC Name: 2-methyl-5-nitrobenzaldehyde SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
| PubChem CID | 12654145 |
|---|---|
| CAS | 16634-91-6 |
| Molecular Weight (g/mol) | 165.148 |
| MDL Number | MFCD03840506 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C=O |
| IUPAC Name | 2-methyl-5-nitrobenzaldehyde |
| InChI Key | JLFWTLNLOSUFMU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
4-(4-Bromophenyl)dibenzothiophene 98.0+%, TCI America™
CAS: 530402-77-8 Molecular Formula: C18H11BrS Molecular Weight (g/mol): 339.25 MDL Number: MFCD19441307 InChI Key: FIAXBPCUAUSGJH-UHFFFAOYSA-N PubChem CID: 59866463 IUPAC Name: 4-(4-bromophenyl)dibenzothiophene SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=C(C=C4)Br
| PubChem CID | 59866463 |
|---|---|
| CAS | 530402-77-8 |
| Molecular Weight (g/mol) | 339.25 |
| MDL Number | MFCD19441307 |
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=C(C=C4)Br |
| IUPAC Name | 4-(4-bromophenyl)dibenzothiophene |
| InChI Key | FIAXBPCUAUSGJH-UHFFFAOYSA-N |
| Molecular Formula | C18H11BrS |
4-Bromo-2-fluorobenzaldehyde 96.0+%, TCI America™
CAS: 57848-46-1 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00143261 InChI Key: UPCARQPLANFGQJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde PubChem CID: 143517 IUPAC Name: 4-bromo-2-fluorobenzaldehyde SMILES: FC1=CC(Br)=CC=C1C=O
| PubChem CID | 143517 |
|---|---|
| CAS | 57848-46-1 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00143261 |
| SMILES | FC1=CC(Br)=CC=C1C=O |
| Synonym | 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde |
| IUPAC Name | 4-bromo-2-fluorobenzaldehyde |
| InChI Key | UPCARQPLANFGQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
4',7-Dimethoxyisoflavone 97.0+%, TCI America™
CAS: 1157-39-7 Molecular Formula: C17H14O4 Molecular Weight (g/mol): 282.295 MDL Number: MFCD00075889 InChI Key: LPNBCGIVZXHHHO-UHFFFAOYSA-N Synonym: 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185 PubChem CID: 136419 IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
| PubChem CID | 136419 |
|---|---|
| CAS | 1157-39-7 |
| Molecular Weight (g/mol) | 282.295 |
| MDL Number | MFCD00075889 |
| SMILES | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC |
| Synonym | 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185 |
| IUPAC Name | 7-methoxy-3-(4-methoxyphenyl)chromen-4-one |
| InChI Key | LPNBCGIVZXHHHO-UHFFFAOYSA-N |
| Molecular Formula | C17H14O4 |
4-Fluoro-3-nitrotoluene 98.0+%, TCI America™
CAS: 446-11-7 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007060 InChI Key: OORBDHOQLZRIQR-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene PubChem CID: 136287 IUPAC Name: 1-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 136287 |
|---|---|
| CAS | 446-11-7 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD00007060 |
| SMILES | CC1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene |
| IUPAC Name | 1-fluoro-4-methyl-2-nitrobenzene |
| InChI Key | OORBDHOQLZRIQR-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1F)(O)O |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl |
| TSCA | No |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 110°C |
4,4'-Methylenebis(2,6-dimethylphenol) 98.0+%, TCI America™
CAS: 5384-21-4 Molecular Formula: C17H20O2 Molecular Weight (g/mol): 256.345 MDL Number: MFCD00055640 InChI Key: AZZWZMUXHALBCQ-UHFFFAOYSA-N PubChem CID: 79345 IUPAC Name: 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol SMILES: CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C
| PubChem CID | 79345 |
|---|---|
| CAS | 5384-21-4 |
| Molecular Weight (g/mol) | 256.345 |
| MDL Number | MFCD00055640 |
| SMILES | CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C |
| IUPAC Name | 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol |
| InChI Key | AZZWZMUXHALBCQ-UHFFFAOYSA-N |
| Molecular Formula | C17H20O2 |
trans,trans-4-(2,3-Difluoro-4-methylphenyl)-4'-ethylbicyclohexyl 98.0+%, TCI America™
CAS: 174350-08-4 Molecular Formula: C21H30F2 Molecular Weight (g/mol): 320.468 InChI Key: GDXLAJNVPUQWRF-UHFFFAOYSA-N PubChem CID: 22184030 IUPAC Name: 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F
| PubChem CID | 22184030 |
|---|---|
| CAS | 174350-08-4 |
| Molecular Weight (g/mol) | 320.468 |
| SMILES | CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C)F)F |
| IUPAC Name | 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene |
| InChI Key | GDXLAJNVPUQWRF-UHFFFAOYSA-N |
| Molecular Formula | C21H30F2 |
3,3',5,5'-Tetramethylbenzidine 98.0+%, TCI America™
CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00007748 InChI Key: UAIUNKRWKOVEES-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble PubChem CID: 41206 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C
| PubChem CID | 41206 |
|---|---|
| CAS | 54827-17-7 |
| Molecular Weight (g/mol) | 240.35 |
| MDL Number | MFCD00007748 |
| SMILES | CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C |
| Synonym | 3,3',5,5'-tetramethylbenzidine,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine,3,5,3',5'-tetramethylbenzidine,tmb,3,3',5,5'-tetramethyl benzidine,tmb substrate,bm blue,ccris 4727,tmb plus,tmb, insoluble |
| IUPAC Name | 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline |
| InChI Key | UAIUNKRWKOVEES-UHFFFAOYSA-N |
| Molecular Formula | C16H20N2 |
4-(Heptyloxy)benzoic Acid 98.0+%, TCI America™
CAS: 15872-42-1 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.31 MDL Number: MFCD00013992 InChI Key: ZRVIYEJYXIDATJ-UHFFFAOYSA-N Synonym: 4-heptyloxy benzoic acid,4-heptyloxybenzoic acid,4-n-heptyloxybenzoic acid,p-heptoxybenzoic acid,p-heptyloxybenzoic acid,benzoic acid, 4-heptyloxy,unii-bj0yzc8zy8,benzoic acid, p-heptyloxy,p-n-heptyloxybenzoic acid,bj0yzc8zy8 PubChem CID: 85154 ChEBI: CHEBI:34405 IUPAC Name: 4-(heptyloxy)benzoic acid SMILES: CCCCCCCOC1=CC=C(C=C1)C(O)=O
| PubChem CID | 85154 |
|---|---|
| CAS | 15872-42-1 |
| Molecular Weight (g/mol) | 236.31 |
| ChEBI | CHEBI:34405 |
| MDL Number | MFCD00013992 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-heptyloxy benzoic acid,4-heptyloxybenzoic acid,4-n-heptyloxybenzoic acid,p-heptoxybenzoic acid,p-heptyloxybenzoic acid,benzoic acid, 4-heptyloxy,unii-bj0yzc8zy8,benzoic acid, p-heptyloxy,p-n-heptyloxybenzoic acid,bj0yzc8zy8 |
| IUPAC Name | 4-(heptyloxy)benzoic acid |
| InChI Key | ZRVIYEJYXIDATJ-UHFFFAOYSA-N |
| Molecular Formula | C14H20O3 |