Benzene and substituted derivatives
Filtered Search Results
4-Chloro-3-nitrotoluene 97.0+%, TCI America™
CAS: 89-60-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007085 InChI Key: NWESJZZPAJGHRZ-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrotoluene,3-nitro-4-chlorotoluene,benzene, 1-chloro-4-methyl-2-nitro,2-chloro-5-methylnitrobenzene,1-chloro-4-methyl-2-nitro-benzene,toluene, 4-chloro-3-nitro,3-nitro-4-chlorotoluol,pubchem19752,4,3-chloronitrotoluene,4-chloro-3-nitro-toluene PubChem CID: 6976 IUPAC Name: 1-chloro-4-methyl-2-nitrobenzene SMILES: CC1=CC=C(Cl)C(=C1)[N+]([O-])=O
| PubChem CID | 6976 |
|---|---|
| CAS | 89-60-1 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007085 |
| SMILES | CC1=CC=C(Cl)C(=C1)[N+]([O-])=O |
| Synonym | 4-chloro-3-nitrotoluene,3-nitro-4-chlorotoluene,benzene, 1-chloro-4-methyl-2-nitro,2-chloro-5-methylnitrobenzene,1-chloro-4-methyl-2-nitro-benzene,toluene, 4-chloro-3-nitro,3-nitro-4-chlorotoluol,pubchem19752,4,3-chloronitrotoluene,4-chloro-3-nitro-toluene |
| IUPAC Name | 1-chloro-4-methyl-2-nitrobenzene |
| InChI Key | NWESJZZPAJGHRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-Iodo-5-nitrotoluene 96.0+%, TCI America™
CAS: 5326-38-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00051517 InChI Key: ARJHCXYRCLMLQN-UHFFFAOYSA-N Synonym: 2-iodo-5-nitrotoluene,benzene, 1-iodo-2-methyl-4-nitro,1-iodo-2-methyl-4-nitro-benzene,acmc-1amrp,2-jod-5-nitro-1-methylbenzol,benzene,1-iodo-2-methyl-4-nitro PubChem CID: 79225 IUPAC Name: 1-iodo-2-methyl-4-nitrobenzene SMILES: CC1=CC(=CC=C1I)[N+]([O-])=O
| PubChem CID | 79225 |
|---|---|
| CAS | 5326-38-5 |
| Molecular Weight (g/mol) | 263.03 |
| MDL Number | MFCD00051517 |
| SMILES | CC1=CC(=CC=C1I)[N+]([O-])=O |
| Synonym | 2-iodo-5-nitrotoluene,benzene, 1-iodo-2-methyl-4-nitro,1-iodo-2-methyl-4-nitro-benzene,acmc-1amrp,2-jod-5-nitro-1-methylbenzol,benzene,1-iodo-2-methyl-4-nitro |
| IUPAC Name | 1-iodo-2-methyl-4-nitrobenzene |
| InChI Key | ARJHCXYRCLMLQN-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
2-Chloro-5-nitrotoluene 98.0+%, TCI America™
CAS: 13290-74-9 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00041430 InChI Key: BGDCQZFFNFXYQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrotoluene,benzene, 1-chloro-2-methyl-4-nitro,4-chloro-3-methylnitrobenzene,1-chloro-2-methyl-4-nitro-benzene,3-nitro-6-chlorotoluene,2-methyl-4-nitrochlorobenzene,pubchem2137,2-chloro-5-nitroluene,acmc-209bqf,5-nitro-2-chlorotoluene PubChem CID: 83315 IUPAC Name: 1-chloro-2-methyl-4-nitrobenzene SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
| PubChem CID | 83315 |
|---|---|
| CAS | 13290-74-9 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00041430 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| Synonym | 2-chloro-5-nitrotoluene,benzene, 1-chloro-2-methyl-4-nitro,4-chloro-3-methylnitrobenzene,1-chloro-2-methyl-4-nitro-benzene,3-nitro-6-chlorotoluene,2-methyl-4-nitrochlorobenzene,pubchem2137,2-chloro-5-nitroluene,acmc-209bqf,5-nitro-2-chlorotoluene |
| IUPAC Name | 1-chloro-2-methyl-4-nitrobenzene |
| InChI Key | BGDCQZFFNFXYQC-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Tetrachlorophthalic Acid Hemihydrate 98.0+%, TCI America™
CAS: 632-58-6 Molecular Formula: C8H2Cl4O4 Molecular Weight (g/mol): 303.90 MDL Number: MFCD00053309 InChI Key: WZHHYIOUKQNLQM-UHFFFAOYSA-N PubChem CID: 12442 IUPAC Name: tetrachlorobenzene-1,2-dicarboxylic acid SMILES: OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(O)=O
| PubChem CID | 12442 |
|---|---|
| CAS | 632-58-6 |
| Molecular Weight (g/mol) | 303.90 |
| MDL Number | MFCD00053309 |
| SMILES | OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(O)=O |
| IUPAC Name | tetrachlorobenzene-1,2-dicarboxylic acid |
| InChI Key | WZHHYIOUKQNLQM-UHFFFAOYSA-N |
| Molecular Formula | C8H2Cl4O4 |
Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1
| PubChem CID | 20161 |
|---|---|
| CAS | 4191-73-5 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016468 |
| SMILES | CC(C)OC(=O)C1=CC=C(O)C=C1 |
| Synonym | isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester |
| IUPAC Name | propan-2-yl 4-hydroxybenzoate |
| InChI Key | CMHMMKSPYOOVGI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Isoamyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 6521-30-8 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00017502 InChI Key: KSHVDKDQYBNSAN-UHFFFAOYSA-N Synonym: 4-Hydroxybenzoic Acid Isoamyl Ester, Isoamylparaben, Isopentyl 4-Hydroxybenzoate PubChem CID: 81009 IUPAC Name: 3-methylbutyl 4-hydroxybenzoate SMILES: CC(C)CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 81009 |
|---|---|
| CAS | 6521-30-8 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00017502 |
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | 4-Hydroxybenzoic Acid Isoamyl Ester, Isoamylparaben, Isopentyl 4-Hydroxybenzoate |
| IUPAC Name | 3-methylbutyl 4-hydroxybenzoate |
| InChI Key | KSHVDKDQYBNSAN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
Dodecyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 2664-60-0 Molecular Formula: C19H30O3 Molecular Weight (g/mol): 306.446 MDL Number: MFCD00016473 InChI Key: BAYSQTBAJQRACX-UHFFFAOYSA-N Synonym: dodecyl p-hydroxybenzoate,dodecylparaben,n-dodecyl 4-hydroxybenzoate,p-hydroxybenzoic acid dodecyl ester,benzoic acid, 4-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester,benzoic acid, p-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester german,4-hydroxybenzoic acid dodecyl ester,laurylparaben PubChem CID: 17569 IUPAC Name: dodecyl 4-hydroxybenzoate SMILES: CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 17569 |
|---|---|
| CAS | 2664-60-0 |
| Molecular Weight (g/mol) | 306.446 |
| MDL Number | MFCD00016473 |
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | dodecyl p-hydroxybenzoate,dodecylparaben,n-dodecyl 4-hydroxybenzoate,p-hydroxybenzoic acid dodecyl ester,benzoic acid, 4-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester,benzoic acid, p-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester german,4-hydroxybenzoic acid dodecyl ester,laurylparaben |
| IUPAC Name | dodecyl 4-hydroxybenzoate |
| InChI Key | BAYSQTBAJQRACX-UHFFFAOYSA-N |
| Molecular Formula | C19H30O3 |
Methyl 2,5-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Isoamyl Salicylate (contains 2-Methylbutyl Salicylate), TCI America™
CAS: 87-20-7 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00020037 InChI Key: PMGCQNGBLMMXEW-UHFFFAOYSA-N Synonym: Isopentyl Salicylate, Salicylic Acid Isoamyl Ester, Isopentyl 2-Hydroxybenzoate PubChem CID: 6874 IUPAC Name: 3-methylbutyl 2-hydroxybenzoate SMILES: CC(C)CCOC(=O)C1=CC=CC=C1O
| PubChem CID | 6874 |
|---|---|
| CAS | 87-20-7 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00020037 |
| SMILES | CC(C)CCOC(=O)C1=CC=CC=C1O |
| Synonym | Isopentyl Salicylate, Salicylic Acid Isoamyl Ester, Isopentyl 2-Hydroxybenzoate |
| IUPAC Name | 3-methylbutyl 2-hydroxybenzoate |
| InChI Key | PMGCQNGBLMMXEW-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
Butyl Salicylate 99.0+%, TCI America™
CAS: 2052-14-4 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020038 InChI Key: YFDUWSBGVPBWKF-UHFFFAOYSA-N Synonym: Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate PubChem CID: 16330 IUPAC Name: butyl 2-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 16330 |
|---|---|
| CAS | 2052-14-4 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020038 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1O |
| Synonym | Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate |
| IUPAC Name | butyl 2-hydroxybenzoate |
| InChI Key | YFDUWSBGVPBWKF-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
4-(Diphenylphosphino)benzoic Acid 97.0+%, TCI America™
CAS: 2129-31-9 Molecular Formula: C19H15O2P Molecular Weight (g/mol): 306.30 MDL Number: MFCD00407264 InChI Key: GXMHDTPYKRTARV-UHFFFAOYSA-N Synonym: 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine PubChem CID: 627824 IUPAC Name: 4-(diphenylphosphanyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 627824 |
|---|---|
| CAS | 2129-31-9 |
| Molecular Weight (g/mol) | 306.30 |
| MDL Number | MFCD00407264 |
| SMILES | OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine |
| IUPAC Name | 4-(diphenylphosphanyl)benzoic acid |
| InChI Key | GXMHDTPYKRTARV-UHFFFAOYSA-N |
| Molecular Formula | C19H15O2P |
Carbonylhydridotris(triphenylphosphine)iridium(I), TCI America™
CAS: 17250-25-8 Molecular Formula: C55H46IrOP3 Molecular Weight (g/mol): 1008.11 MDL Number: MFCD00015525 InChI Key: IOPVMNYABUEALT-UHFFFAOYSA-N Synonym: carbonylhydridotris triphenylphosphine iridium i,iridium 1+ formaldehyde tris triphenylphosphine hydride PubChem CID: 92135237 IUPAC Name: methanidylidyneoxidanium tris(triphenylphosphane) iridium hydride SMILES: [IrH].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 92135237 |
|---|---|
| CAS | 17250-25-8 |
| Molecular Weight (g/mol) | 1008.11 |
| MDL Number | MFCD00015525 |
| SMILES | [IrH].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbonylhydridotris triphenylphosphine iridium i,iridium 1+ formaldehyde tris triphenylphosphine hydride |
| IUPAC Name | methanidylidyneoxidanium tris(triphenylphosphane) iridium hydride |
| InChI Key | IOPVMNYABUEALT-UHFFFAOYSA-N |
| Molecular Formula | C55H46IrOP3 |
2-(1,3-Dioxolan-2-yl)ethyltriphenylphosphonium Bromide 97.0+%, TCI America™
CAS: 86608-70-0 Molecular Formula: C23H24BrO2P Molecular Weight (g/mol): 443.321 MDL Number: MFCD00075119 InChI Key: ZCJKBPSRKLHANV-UHFFFAOYSA-M Synonym: 2-1,3-dioxolan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxolan-2-yl ethyl triphenylphosphonium bromide,phosphonium, 2-1,3-dioxolan-2-yl ethyl triphenyl-, bromide,2-1,3-dioxolan-2-yl ethyl triphenylphosphanium bromide,acmc-1bl1m,2-1,3-dioxolan-2-yl ethyltrip,phosphonium, 2-1,3-dioxolan-2-yl ethyl triphenyl-, bromide 1:1,2-1,3-dioxolan-2-yl ethyltriphenylphosp,2-1,3-dioxolan-2-yl ethyltriphenylphosphoniumbromide PubChem CID: 2733834 IUPAC Name: 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium;bromide SMILES: C1COC(O1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
| PubChem CID | 2733834 |
|---|---|
| CAS | 86608-70-0 |
| Molecular Weight (g/mol) | 443.321 |
| MDL Number | MFCD00075119 |
| SMILES | C1COC(O1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| Synonym | 2-1,3-dioxolan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxolan-2-yl ethyl triphenylphosphonium bromide,phosphonium, 2-1,3-dioxolan-2-yl ethyl triphenyl-, bromide,2-1,3-dioxolan-2-yl ethyl triphenylphosphanium bromide,acmc-1bl1m,2-1,3-dioxolan-2-yl ethyltrip,phosphonium, 2-1,3-dioxolan-2-yl ethyl triphenyl-, bromide 1:1,2-1,3-dioxolan-2-yl ethyltriphenylphosp,2-1,3-dioxolan-2-yl ethyltriphenylphosphoniumbromide |
| IUPAC Name | 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium;bromide |
| InChI Key | ZCJKBPSRKLHANV-UHFFFAOYSA-M |
| Molecular Formula | C23H24BrO2P |
Ethyl 3,4-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1
| PubChem CID | 77547 |
|---|---|
| CAS | 3943-89-3 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002199 |
| SMILES | CCOC(=O)C1=CC=C(O)C(O)=C1 |
| Synonym | ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester |
| IUPAC Name | ethyl 3,4-dihydroxybenzoate |
| InChI Key | KBPUBCVJHFXPOC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
1,2-Dimethoxybenzene 99.0+%, TCI America™
CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC
| PubChem CID | 7043 |
|---|---|
| CAS | 91-16-7 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:59114 |
| MDL Number | MFCD00008357 |
| SMILES | COC1=CC=CC=C1OC |
| Synonym | veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy |
| IUPAC Name | 1,2-dimethoxybenzene |
| InChI Key | ABDKAPXRBAPSQN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |