Benzene and substituted derivatives
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2,4,6-Trifluorobenzeneboronic acid, 97%
CAS: 182482-25-3 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.90 MDL Number: MFCD01863169 InChI Key: IPEIGKHHSZFAEW-UHFFFAOYSA-N Synonym: 2,4,6-trifluorophenyl boronic acid,2,4,6-trifluorobenzeneboronic acid,2,4,6-trifluorophenylboronicacid,2,4,6-trifluorophenyl boranediol,boronic acid, 2,4,6-trifluorophenyl,pubchem1788,acmc-209ejj,chembl91770,boronicacid, b-2,4,6-trifluorophenyl,boronic acid, b-2,4,6-trifluorophenyl PubChem CID: 2779329 IUPAC Name: (2,4,6-trifluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C=C(F)C=C1F
| PubChem CID | 2779329 |
|---|---|
| CAS | 182482-25-3 |
| Molecular Weight (g/mol) | 175.90 |
| MDL Number | MFCD01863169 |
| SMILES | OB(O)C1=C(F)C=C(F)C=C1F |
| Synonym | 2,4,6-trifluorophenyl boronic acid,2,4,6-trifluorobenzeneboronic acid,2,4,6-trifluorophenylboronicacid,2,4,6-trifluorophenyl boranediol,boronic acid, 2,4,6-trifluorophenyl,pubchem1788,acmc-209ejj,chembl91770,boronicacid, b-2,4,6-trifluorophenyl,boronic acid, b-2,4,6-trifluorophenyl |
| IUPAC Name | (2,4,6-trifluorophenyl)boronic acid |
| InChI Key | IPEIGKHHSZFAEW-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3O2 |
Tetraphenylphosphonium bromide, 99%
CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium;bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724163 |
|---|---|
| CAS | 2751-90-8 |
| Molecular Weight (g/mol) | 419.30 |
| MDL Number | MFCD00011915 |
| SMILES | [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide |
| IUPAC Name | tetraphenylphosphanium;bromide |
| InChI Key | BRKFQVAOMSWFDU-UHFFFAOYSA-M |
| Molecular Formula | C24H20BrP |
Benzyltriethylammonium chloride, 98%
CAS: 56-37-1 Molecular Formula: C13H22ClN Molecular Weight (g/mol): 227.78 MDL Number: MFCD00011824 InChI Key: HTZCNXWZYVXIMZ-UHFFFAOYSA-M Synonym: benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride PubChem CID: 66133 IUPAC Name: benzyl(triethyl)azanium;chloride SMILES: [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1
| PubChem CID | 66133 |
|---|---|
| CAS | 56-37-1 |
| Molecular Weight (g/mol) | 227.78 |
| MDL Number | MFCD00011824 |
| SMILES | [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1 |
| Synonym | benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride |
| IUPAC Name | benzyl(triethyl)azanium;chloride |
| InChI Key | HTZCNXWZYVXIMZ-UHFFFAOYSA-M |
| Molecular Formula | C13H22ClN |
GBR 12909 dihydrochloride, Thermo Scientific Chemicals
CAS: 67469-78-7 Molecular Formula: C28H34Cl2F2N2O Molecular Weight (g/mol): 523.49 MDL Number: MFCD00055193 InChI Key: MIBSKSYCRFWIRU-UHFFFAOYSA-N PubChem CID: 104920 ChEBI: CHEBI:64086 IUPAC Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride SMILES: C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl
| PubChem CID | 104920 |
|---|---|
| CAS | 67469-78-7 |
| Molecular Weight (g/mol) | 523.49 |
| ChEBI | CHEBI:64086 |
| MDL Number | MFCD00055193 |
| SMILES | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
| IUPAC Name | 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride |
| InChI Key | MIBSKSYCRFWIRU-UHFFFAOYSA-N |
| Molecular Formula | C28H34Cl2F2N2O |
1-Bromo-3,5-dimethoxybenzene, 97%
CAS: 20469-65-2 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD06200685 InChI Key: KRWRFIMBWRVMKE-UHFFFAOYSA-N Synonym: 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l PubChem CID: 639187 IUPAC Name: 1-bromo-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(Br)=C1
| PubChem CID | 639187 |
|---|---|
| CAS | 20469-65-2 |
| Molecular Weight (g/mol) | 217.06 |
| MDL Number | MFCD06200685 |
| SMILES | COC1=CC(OC)=CC(Br)=C1 |
| Synonym | 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l |
| IUPAC Name | 1-bromo-3,5-dimethoxybenzene |
| InChI Key | KRWRFIMBWRVMKE-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
4-Nitrobenzaldehyde, 99%
CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1
| PubChem CID | 541 |
|---|---|
| CAS | 555-16-8 |
| Molecular Weight (g/mol) | 151.12 |
| ChEBI | CHEBI:66926 |
| MDL Number | MFCD00007346 |
| SMILES | [O-][N+](=O)C1=CC=C(C=O)C=C1 |
| Synonym | p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 |
| IUPAC Name | 4-nitrobenzaldehyde |
| InChI Key | BXRFQSNOROATLV-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
2-Phenoxyethanol, 94%
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:64275 |
| MDL Number | MFCD00002857 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Dimethylaminobenzaldehyde, 99+%
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Thermo Scientific Chemicals Citalopram hydrobromide
CAS: 59729-32-7 Molecular Formula: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
| PubChem CID | 77995 |
|---|---|
| CAS | 59729-32-7 |
| Molecular Weight (g/mol) | 405.3 |
| SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br |
| Synonym | citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan |
| IUPAC Name | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide |
| InChI Key | WIHMBLDNRMIGDW-UHFFFAOYSA-N |
| Molecular Formula | C20H21FN2O·HBr |
3,3',5,5'-Tetramethylbenzidine, 99+%
CAS: 54827-17-7 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 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 |
| 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-Methoxybenzylchloride, 98%, stabilized
CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl
| PubChem CID | 69993 |
|---|---|
| CAS | 824-94-2 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000915 |
| SMILES | COC1=CC=C(C=C1)CCl |
| Synonym | 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl |
| IUPAC Name | 1-(chloromethyl)-4-methoxybenzene |
| InChI Key | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
2-Methylbenzyl bromide, 98%
CAS: 89-92-9 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000174 InChI Key: WGVYCXYGPNNUQA-UHFFFAOYSA-N Synonym: 2-methylbenzyl bromide,1-bromomethyl-2-methylbenzene,alpha-bromo-o-xylene,o-xylyl bromide,o-methylbenzyl bromide,2-xylyl bromide,2-bromomethyl toluene,2-methylbenzylbromide,benzene, 1-bromomethyl-2-methyl,a-bromo-o-xylene PubChem CID: 6992 IUPAC Name: 1-(bromomethyl)-2-methylbenzene SMILES: CC1=CC=CC=C1CBr
| PubChem CID | 6992 |
|---|---|
| CAS | 89-92-9 |
| Molecular Weight (g/mol) | 185.064 |
| MDL Number | MFCD00000174 |
| SMILES | CC1=CC=CC=C1CBr |
| Synonym | 2-methylbenzyl bromide,1-bromomethyl-2-methylbenzene,alpha-bromo-o-xylene,o-xylyl bromide,o-methylbenzyl bromide,2-xylyl bromide,2-bromomethyl toluene,2-methylbenzylbromide,benzene, 1-bromomethyl-2-methyl,a-bromo-o-xylene |
| IUPAC Name | 1-(bromomethyl)-2-methylbenzene |
| InChI Key | WGVYCXYGPNNUQA-UHFFFAOYSA-N |
| Molecular Formula | C8H9Br |
4-Bromostyrene, 96%, stabilized
CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000110 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: BrC1=CC=C(C=C)C=C1
| PubChem CID | 16263 |
|---|---|
| CAS | 2039-82-9 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00000110 |
| SMILES | BrC1=CC=C(C=C)C=C1 |
| Synonym | 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu |
| IUPAC Name | 1-bromo-4-ethenylbenzene |
| InChI Key | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
Diethylstilbestrol, 99%
CAS: 56-53-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol PubChem CID: 448537 ChEBI: CHEBI:41922 SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 448537 |
|---|---|
| CAS | 56-53-1 |
| Molecular Weight (g/mol) | 268.36 |
| ChEBI | CHEBI:41922 |
| MDL Number | MFCD00002373 |
| SMILES | CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol |
| InChI Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Molecular Formula | C18H20O2 |
2-Chlorobenzaldehyde, 99%
CAS: 89-98-5 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.57 MDL Number: MFCD00003304 InChI Key: FPYUJUBAXZAQNL-UHFFFAOYSA-N Synonym: o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde PubChem CID: 6996 IUPAC Name: 2-chlorobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)Cl
| PubChem CID | 6996 |
|---|---|
| CAS | 89-98-5 |
| Molecular Weight (g/mol) | 140.57 |
| MDL Number | MFCD00003304 |
| SMILES | C1=CC=C(C(=C1)C=O)Cl |
| Synonym | o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde |
| IUPAC Name | 2-chlorobenzaldehyde |
| InChI Key | FPYUJUBAXZAQNL-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO |