Benzene and substituted derivatives
Filtered Search Results
3-Bromo-5-chlorobenzonitrile 98.0+%, TCI America™
CAS: 304854-55-5 Molecular Formula: C7H3BrClN Molecular Weight (g/mol): 216.462 MDL Number: MFCD06200840 InChI Key: DRKWKPSNVQVDKZ-UHFFFAOYSA-N PubChem CID: 15965893 IUPAC Name: 3-bromo-5-chlorobenzonitrile SMILES: C1=C(C=C(C=C1Cl)Br)C#N
| PubChem CID | 15965893 |
|---|---|
| CAS | 304854-55-5 |
| Molecular Weight (g/mol) | 216.462 |
| MDL Number | MFCD06200840 |
| SMILES | C1=C(C=C(C=C1Cl)Br)C#N |
| IUPAC Name | 3-bromo-5-chlorobenzonitrile |
| InChI Key | DRKWKPSNVQVDKZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClN |
2,4-Dimethoxy-1-nitrobenzene 98.0+%, TCI America™
CAS: 4920-84-7 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024210 InChI Key: XXWIYOBCHKCWNT-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-4-nitrobenzene,2,4-dimethoxynitrobenzene,2,4-dimethoxy-1-nitro-benzene,benzene, 2,4-dimethoxy-1-nitro,2,4-dimethoxylnitrobenzene,pubchem19759,acmc-209kfc,2,4dimethoxy-nitrobenzene,2,4-dimethoxy-nitrobenzene,2.4-dimethoxy-nitrobenzene PubChem CID: 78633 IUPAC Name: 2,4-dimethoxy-1-nitrobenzene SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])OC
| PubChem CID | 78633 |
|---|---|
| CAS | 4920-84-7 |
| Molecular Weight (g/mol) | 183.163 |
| MDL Number | MFCD00024210 |
| SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])OC |
| Synonym | 1,3-dimethoxy-4-nitrobenzene,2,4-dimethoxynitrobenzene,2,4-dimethoxy-1-nitro-benzene,benzene, 2,4-dimethoxy-1-nitro,2,4-dimethoxylnitrobenzene,pubchem19759,acmc-209kfc,2,4dimethoxy-nitrobenzene,2,4-dimethoxy-nitrobenzene,2.4-dimethoxy-nitrobenzene |
| IUPAC Name | 2,4-dimethoxy-1-nitrobenzene |
| InChI Key | XXWIYOBCHKCWNT-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4 |
2,4,4'-Trihydroxybenzophenone 98.0+%, TCI America™
CAS: 1470-79-7 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.22 MDL Number: MFCD00002356 InChI Key: OKJFKPFBSPZTAH-UHFFFAOYSA-N Synonym: 2,4,4'-trihydroxybenzophenone,2,4-dihydroxyphenyl 4-hydroxyphenyl methanone,benzophenone, 2,4,4'-trihydroxy,unii-qp9121ig2s,methanone, 2,4-dihydroxyphenyl 4-hydroxyphenyl,2,4-dihydroxyphenyl p-hydroxybenzyl ketone,2,4-dihydroxyphenyl-4-hydroxyphenyl methanone,2,4-dihydroxy-phenyl-4-hydroxy-phenyl-methanone,dsstox_cid_24836,dsstox_rid_80517 PubChem CID: 73852 IUPAC Name: 4-(4-hydroxybenzoyl)benzene-1,3-diol SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O
| PubChem CID | 73852 |
|---|---|
| CAS | 1470-79-7 |
| Molecular Weight (g/mol) | 230.22 |
| MDL Number | MFCD00002356 |
| SMILES | OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O |
| Synonym | 2,4,4'-trihydroxybenzophenone,2,4-dihydroxyphenyl 4-hydroxyphenyl methanone,benzophenone, 2,4,4'-trihydroxy,unii-qp9121ig2s,methanone, 2,4-dihydroxyphenyl 4-hydroxyphenyl,2,4-dihydroxyphenyl p-hydroxybenzyl ketone,2,4-dihydroxyphenyl-4-hydroxyphenyl methanone,2,4-dihydroxy-phenyl-4-hydroxy-phenyl-methanone,dsstox_cid_24836,dsstox_rid_80517 |
| IUPAC Name | 4-(4-hydroxybenzoyl)benzene-1,3-diol |
| InChI Key | OKJFKPFBSPZTAH-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |
1-(p-Tolyl)piperazine 98.0+%, TCI America™
CAS: 39593-08-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2
| PubChem CID | 83113 |
|---|---|
| CAS | 39593-08-3 |
| Molecular Weight (g/mol) | 176.263 |
| MDL Number | MFCD00040737 |
| SMILES | CC1=CC=C(C=C1)N2CCNCC2 |
| Synonym | 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine |
| IUPAC Name | 1-(4-methylphenyl)piperazine |
| InChI Key | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™
CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
| PubChem CID | 626316 |
|---|---|
| CAS | 14353-88-9 |
| Molecular Weight (g/mol) | 519.99 |
| MDL Number | MFCD00191612 |
| SMILES | FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F |
| Synonym | Pentafluoro[bis(trifluoroacetoxy)iodo]benzene |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate |
| InChI Key | OQWAXRPJEPTTSZ-UHFFFAOYSA-N |
| Molecular Formula | C10F11IO4 |
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 |
1-Bromo-3,5-dichlorobenzene 98.0+%, TCI America™
CAS: 19752-55-7 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00000584 InChI Key: DZHFFMWJXJBBRG-UHFFFAOYSA-N Synonym: 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a PubChem CID: 29766 IUPAC Name: 1-bromo-3,5-dichlorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)Cl
| PubChem CID | 29766 |
|---|---|
| CAS | 19752-55-7 |
| Molecular Weight (g/mol) | 225.894 |
| MDL Number | MFCD00000584 |
| SMILES | C1=C(C=C(C=C1Cl)Br)Cl |
| Synonym | 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a |
| IUPAC Name | 1-bromo-3,5-dichlorobenzene |
| InChI Key | DZHFFMWJXJBBRG-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
3,5-Di-tert-butylbenzaldehyde 97.0+%, TCI America™
CAS: 17610-00-3 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00026298 InChI Key: BRUITYMDHWNCIG-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzaldehyde,3,5-bis tert-butyl benzaldehyde,3,5-di-t-butylbenzaldehyde,3,5-bis tert-butyl-1-formylbenzene,benzaldehyde, 3,5-bis 1,1-dimethylethyl,3,5-di-tert-butyl-benzaldehyde,acmc-20ai73,3,5-di-tertbutylbenzaldehyde,ksc181g1d,3,5-di-tert butylbenzaldehyde PubChem CID: 1268253 IUPAC Name: 3,5-di-tert-butylbenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(C=O)=C1)C(C)(C)C
| PubChem CID | 1268253 |
|---|---|
| CAS | 17610-00-3 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00026298 |
| SMILES | CC(C)(C)C1=CC(=CC(C=O)=C1)C(C)(C)C |
| Synonym | 3,5-di-tert-butylbenzaldehyde,3,5-bis tert-butyl benzaldehyde,3,5-di-t-butylbenzaldehyde,3,5-bis tert-butyl-1-formylbenzene,benzaldehyde, 3,5-bis 1,1-dimethylethyl,3,5-di-tert-butyl-benzaldehyde,acmc-20ai73,3,5-di-tertbutylbenzaldehyde,ksc181g1d,3,5-di-tert butylbenzaldehyde |
| IUPAC Name | 3,5-di-tert-butylbenzaldehyde |
| InChI Key | BRUITYMDHWNCIG-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
N-Ethyl-N-2-hydroxyethyl-m-toluidine 96.0+%, TCI America™
CAS: 91-88-3 Molecular Formula: C11H17NO Molecular Weight (g/mol): 179.263 MDL Number: MFCD00002849 InChI Key: KRNUKKZDGDAWBF-UHFFFAOYSA-N Synonym: 2-n-ethyl-m-toluidino ethanol,2-ethyl m-tolyl amino ethanol,emery 5714,n-ethyl-n-2-hydroxyethyl-m-toluidine,ethanol, 2-ethyl 3-methylphenyl amino,ethanol, 2-n-ethyl-m-toluidino,n-ethyl-n-hydroxyethyl-meta-toluidine,n-hydroxyethyl-n-ethyl-m-toluidine,unii-1alr5x8r8w PubChem CID: 7067 IUPAC Name: 2-(N-ethyl-3-methylanilino)ethanol SMILES: CCN(CCO)C1=CC=CC(=C1)C
| PubChem CID | 7067 |
|---|---|
| CAS | 91-88-3 |
| Molecular Weight (g/mol) | 179.263 |
| MDL Number | MFCD00002849 |
| SMILES | CCN(CCO)C1=CC=CC(=C1)C |
| Synonym | 2-n-ethyl-m-toluidino ethanol,2-ethyl m-tolyl amino ethanol,emery 5714,n-ethyl-n-2-hydroxyethyl-m-toluidine,ethanol, 2-ethyl 3-methylphenyl amino,ethanol, 2-n-ethyl-m-toluidino,n-ethyl-n-hydroxyethyl-meta-toluidine,n-hydroxyethyl-n-ethyl-m-toluidine,unii-1alr5x8r8w |
| IUPAC Name | 2-(N-ethyl-3-methylanilino)ethanol |
| InChI Key | KRNUKKZDGDAWBF-UHFFFAOYSA-N |
| Molecular Formula | C11H17NO |
Levocetirizine Dihydrochloride 98.0+%, TCI America™
CAS: 130018-87-0 Molecular Formula: C21H27Cl3N2O3 Molecular Weight (g/mol): 461.808 MDL Number: MFCD07366507 InChI Key: PGLIUCLTXOYQMV-GHVWMZMZSA-N Synonym: 2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]acetic Acid Dihydrochloride PubChem CID: 9955977 IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride SMILES: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
| PubChem CID | 9955977 |
|---|---|
| CAS | 130018-87-0 |
| Molecular Weight (g/mol) | 461.808 |
| MDL Number | MFCD07366507 |
| SMILES | C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl |
| Synonym | 2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]acetic Acid Dihydrochloride |
| IUPAC Name | 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride |
| InChI Key | PGLIUCLTXOYQMV-GHVWMZMZSA-N |
| Molecular Formula | C21H27Cl3N2O3 |
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine 98.0+%, TCI America™
CAS: 30363-03-2 Molecular Formula: C21H12Br3N3 Molecular Weight (g/mol): 546.06 MDL Number: MFCD04116312 InChI Key: WZYVDGDZBNQVCF-UHFFFAOYSA-N PubChem CID: 35224 IUPAC Name: tris(4-bromophenyl)-1,3,5-triazine SMILES: BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 35224 |
|---|---|
| CAS | 30363-03-2 |
| Molecular Weight (g/mol) | 546.06 |
| MDL Number | MFCD04116312 |
| SMILES | BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1 |
| IUPAC Name | tris(4-bromophenyl)-1,3,5-triazine |
| InChI Key | WZYVDGDZBNQVCF-UHFFFAOYSA-N |
| Molecular Formula | C21H12Br3N3 |
(-)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane 97.0+%, TCI America™
CAS: 93379-48-7 Molecular Formula: C31H30O4 Molecular Weight (g/mol): 466.577 MDL Number: MFCD00064467 InChI Key: OWVIRVJQDVCGQX-VSGBNLITSA-N PubChem CID: 2725026 IUPAC Name: [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol SMILES: CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
| PubChem CID | 2725026 |
|---|---|
| CAS | 93379-48-7 |
| Molecular Weight (g/mol) | 466.577 |
| MDL Number | MFCD00064467 |
| SMILES | CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C |
| IUPAC Name | [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol |
| InChI Key | OWVIRVJQDVCGQX-VSGBNLITSA-N |
| Molecular Formula | C31H30O4 |
N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine 98.0+%, TCI America™
CAS: 579474-47-8 Molecular Formula: C11H15FN2O2 Molecular Weight (g/mol): 226.25 MDL Number: MFCD09701246 InChI Key: IBKSOWUYKOORFF-UHFFFAOYSA-N Synonym: N1-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-4-fluorophenyl)carbamate, (2-Amino-4-fluorophenyl)carbamic Acid tert-Butyl Ester PubChem CID: 24688763 IUPAC Name: tert-butyl N-(2-amino-4-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=C(N)C=C(F)C=C1
| PubChem CID | 24688763 |
|---|---|
| CAS | 579474-47-8 |
| Molecular Weight (g/mol) | 226.25 |
| MDL Number | MFCD09701246 |
| SMILES | CC(C)(C)OC(=O)NC1=C(N)C=C(F)C=C1 |
| Synonym | N1-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-4-fluorophenyl)carbamate, (2-Amino-4-fluorophenyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(2-amino-4-fluorophenyl)carbamate |
| InChI Key | IBKSOWUYKOORFF-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2O2 |
Benzyltriethylammonium Borohydride 90.0+%, TCI America™
CAS: 85874-45-9 Molecular Formula: C13H22BN Molecular Weight (g/mol): 203.136 MDL Number: MFCD00191785 InChI Key: HQGWCEJYXHFBSA-UHFFFAOYSA-N Synonym: benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate PubChem CID: 10899792 IUPAC Name: benzyl(triethyl)azanium;boron(1-) SMILES: [B-].CC[N+](CC)(CC)CC1=CC=CC=C1
| PubChem CID | 10899792 |
|---|---|
| CAS | 85874-45-9 |
| Molecular Weight (g/mol) | 203.136 |
| MDL Number | MFCD00191785 |
| SMILES | [B-].CC[N+](CC)(CC)CC1=CC=CC=C1 |
| Synonym | benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate |
| IUPAC Name | benzyl(triethyl)azanium;boron(1-) |
| InChI Key | HQGWCEJYXHFBSA-UHFFFAOYSA-N |
| Molecular Formula | C13H22BN |
2-(Methylthio)benzoic Acid 98.0+%, TCI America™
CAS: 3724-10-5 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00029934 InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N Synonym: 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french PubChem CID: 19498 IUPAC Name: 2-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC=C1C(=O)O
| PubChem CID | 19498 |
|---|---|
| CAS | 3724-10-5 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00029934 |
| SMILES | CSC1=CC=CC=C1C(=O)O |
| Synonym | 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french |
| IUPAC Name | 2-methylsulfanylbenzoic acid |
| InChI Key | LWJQGKJCZOGGPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |