Benzene and substituted derivatives
Filtered Search Results
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-Bromo-4-ethynylbenzene 98.0+%, TCI America™
CAS: 766-96-1 Molecular Formula: C8H5Br Molecular Weight (g/mol): 181.032 MDL Number: MFCD00168822 InChI Key: LTLVZQZDXQWLHU-UHFFFAOYSA-N Synonym: 4-bromophenylacetylene,benzene, 1-bromo-4-ethynyl,1-bromo-4-ethynyl-benzene,4-bromophenyl acetylene,4'-bromophenyl acetylene,4'-bromophenylacetylene,p-bromophenylacetylene,p-bromophenyl acetylene,4-bromphenyl acetylene,4-bromo-1-ethynylbenzene PubChem CID: 136603 IUPAC Name: 1-bromo-4-ethynylbenzene SMILES: C#CC1=CC=C(C=C1)Br
| PubChem CID | 136603 |
|---|---|
| CAS | 766-96-1 |
| Molecular Weight (g/mol) | 181.032 |
| MDL Number | MFCD00168822 |
| SMILES | C#CC1=CC=C(C=C1)Br |
| Synonym | 4-bromophenylacetylene,benzene, 1-bromo-4-ethynyl,1-bromo-4-ethynyl-benzene,4-bromophenyl acetylene,4'-bromophenyl acetylene,4'-bromophenylacetylene,p-bromophenylacetylene,p-bromophenyl acetylene,4-bromphenyl acetylene,4-bromo-1-ethynylbenzene |
| IUPAC Name | 1-bromo-4-ethynylbenzene |
| InChI Key | LTLVZQZDXQWLHU-UHFFFAOYSA-N |
| Molecular Formula | C8H5Br |
3-Bromophenyl Methyl Sulfone 98.0+%, TCI America™
CAS: 34896-80-5 Molecular Formula: C7H7BrO2S Molecular Weight (g/mol): 235.10 MDL Number: MFCD03095326 InChI Key: WBOMXUMQOVQNKT-UHFFFAOYSA-N PubChem CID: 2757146 IUPAC Name: 1-bromo-3-methanesulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC(Br)=C1
| PubChem CID | 2757146 |
|---|---|
| CAS | 34896-80-5 |
| Molecular Weight (g/mol) | 235.10 |
| MDL Number | MFCD03095326 |
| SMILES | CS(=O)(=O)C1=CC=CC(Br)=C1 |
| IUPAC Name | 1-bromo-3-methanesulfonylbenzene |
| InChI Key | WBOMXUMQOVQNKT-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO2S |
Methyl 2-Chloro-5-nitrobenzoate 98.0+%, TCI America™
CAS: 6307-82-0 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00184587 InChI Key: VCYWZLGOWNCJNJ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid methyl ester,benzoic acid, 2-chloro-5-nitro-, methyl ester,methyl 2-chloro-5-nitrobenzenecarboxylate,2-chloro-5-nitro-benzoic acid methyl ester,methylester kyseliny 2-chlor-5-nitrobenzoove czech,pubchem3711,acmc-209ncv,methylester kyseliny 2-chlor-5-nitrobenzoove,4-09-00-01228 beilstein handbook reference,methyl2-chloro-5-nitrobenzoate PubChem CID: 22754 IUPAC Name: methyl 2-chloro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
| PubChem CID | 22754 |
|---|---|
| CAS | 6307-82-0 |
| Molecular Weight (g/mol) | 215.589 |
| MDL Number | MFCD00184587 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| Synonym | 2-chloro-5-nitrobenzoic acid methyl ester,benzoic acid, 2-chloro-5-nitro-, methyl ester,methyl 2-chloro-5-nitrobenzenecarboxylate,2-chloro-5-nitro-benzoic acid methyl ester,methylester kyseliny 2-chlor-5-nitrobenzoove czech,pubchem3711,acmc-209ncv,methylester kyseliny 2-chlor-5-nitrobenzoove,4-09-00-01228 beilstein handbook reference,methyl2-chloro-5-nitrobenzoate |
| IUPAC Name | methyl 2-chloro-5-nitrobenzoate |
| InChI Key | VCYWZLGOWNCJNJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
4-Chlorobenzamide 98.0+%, TCI America™
CAS: 619-56-7 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD00007993 InChI Key: BLNVISNJTIRAHF-UHFFFAOYSA-N Synonym: p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide PubChem CID: 12084 IUPAC Name: 4-chlorobenzamide SMILES: NC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 12084 |
|---|---|
| CAS | 619-56-7 |
| Molecular Weight (g/mol) | 155.58 |
| MDL Number | MFCD00007993 |
| SMILES | NC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide |
| IUPAC Name | 4-chlorobenzamide |
| InChI Key | BLNVISNJTIRAHF-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO |
4-Chlorobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
CAS: 2403-61-4 Molecular Formula: C11H15ClO2 Molecular Weight (g/mol): 214.69 MDL Number: MFCD08276331 InChI Key: GPLBEXMSGZWIPD-UHFFFAOYSA-N Synonym: 1-Chloro-4-(diethoxymethyl)benzene PubChem CID: 326160 IUPAC Name: 1-chloro-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Cl)C=C1
| PubChem CID | 326160 |
|---|---|
| CAS | 2403-61-4 |
| Molecular Weight (g/mol) | 214.69 |
| MDL Number | MFCD08276331 |
| SMILES | CCOC(OCC)C1=CC=C(Cl)C=C1 |
| Synonym | 1-Chloro-4-(diethoxymethyl)benzene |
| IUPAC Name | 1-chloro-4-(diethoxymethyl)benzene |
| InChI Key | GPLBEXMSGZWIPD-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClO2 |
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 |
3-Chloro-5-fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 493024-39-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD03788472 InChI Key: PKSAHOPFPPAUOD-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene PubChem CID: 2734834 IUPAC Name: 1-(bromomethyl)-3-chloro-5-fluorobenzene SMILES: FC1=CC(Cl)=CC(CBr)=C1
| PubChem CID | 2734834 |
|---|---|
| CAS | 493024-39-8 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD03788472 |
| SMILES | FC1=CC(Cl)=CC(CBr)=C1 |
| Synonym | 3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene |
| IUPAC Name | 1-(bromomethyl)-3-chloro-5-fluorobenzene |
| InChI Key | PKSAHOPFPPAUOD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
4-(1,1,3,3-Tetramethylbutyl)phenol 95.0+%, TCI America™
CAS: 140-66-9 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00002368 InChI Key: ISAVYTVYFVQUDY-UHFFFAOYSA-N Synonym: 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl PubChem CID: 8814 ChEBI: CHEBI:34445 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
| PubChem CID | 8814 |
|---|---|
| CAS | 140-66-9 |
| Molecular Weight (g/mol) | 206.329 |
| ChEBI | CHEBI:34445 |
| MDL Number | MFCD00002368 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O |
| Synonym | 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl |
| IUPAC Name | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| InChI Key | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |
2,3-Dihydroxybenzoic Acid 98.0+%, TCI America™
CAS: 303-38-8 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
| PubChem CID | 19 |
|---|---|
| CAS | 303-38-8 |
| Molecular Weight (g/mol) | 154.121 |
| ChEBI | CHEBI:18026 |
| MDL Number | MFCD00002446 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)O |
| Synonym | pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid |
| IUPAC Name | 2,3-dihydroxybenzoic acid |
| InChI Key | GLDQAMYCGOIJDV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
4'-Butyl-4-iodobiphenyl 98.0+%, TCI America™
CAS: 199982-02-0 Molecular Formula: C16H17I Molecular Weight (g/mol): 336.216 MDL Number: MFCD16619281 InChI Key: KTEKHPDWAMYUBP-UHFFFAOYSA-N PubChem CID: 53417225 IUPAC Name: 1-butyl-4-(4-iodophenyl)benzene SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
| PubChem CID | 53417225 |
|---|---|
| CAS | 199982-02-0 |
| Molecular Weight (g/mol) | 336.216 |
| MDL Number | MFCD16619281 |
| SMILES | CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I |
| IUPAC Name | 1-butyl-4-(4-iodophenyl)benzene |
| InChI Key | KTEKHPDWAMYUBP-UHFFFAOYSA-N |
| Molecular Formula | C16H17I |
4-Bromobenzamide 98.0+%, TCI America™
CAS: 698-67-9 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br
| PubChem CID | 69683 |
|---|---|
| CAS | 698-67-9 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00007991 |
| SMILES | C1=CC(=CC=C1C(=O)N)Br |
| Synonym | p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide |
| IUPAC Name | 4-bromobenzamide |
| InChI Key | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
4-Bromo-2-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 320-31-0 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD07787468 InChI Key: JXHWAPDBDXPBEQ-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride PubChem CID: 25067392 IUPAC Name: 4-bromo-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F
| PubChem CID | 25067392 |
|---|---|
| CAS | 320-31-0 |
| Molecular Weight (g/mol) | 269.02 |
| MDL Number | MFCD07787468 |
| SMILES | OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F |
| Synonym | 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)benzoic acid |
| InChI Key | JXHWAPDBDXPBEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O2 |
4-Chlorophenyl Phenyl Sulfone 96.0+%, TCI America™
CAS: 80-00-2 Molecular Formula: C12H9ClO2S Molecular Weight (g/mol): 252.712 MDL Number: MFCD00007549 InChI Key: OFCFYWOKHPOXKF-UHFFFAOYSA-N Synonym: 4-Chlorodiphenyl Sulfone, 1-Chloro-4-(phenylsulfonyl)benzene, Sulferone PubChem CID: 6621 IUPAC Name: 1-(benzenesulfonyl)-4-chlorobenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 6621 |
|---|---|
| CAS | 80-00-2 |
| Molecular Weight (g/mol) | 252.712 |
| MDL Number | MFCD00007549 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-Chlorodiphenyl Sulfone, 1-Chloro-4-(phenylsulfonyl)benzene, Sulferone |
| IUPAC Name | 1-(benzenesulfonyl)-4-chlorobenzene |
| InChI Key | OFCFYWOKHPOXKF-UHFFFAOYSA-N |
| Molecular Formula | C12H9ClO2S |
2-Chloro-6-fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 68220-26-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD00040126 InChI Key: IGUVNNXFTDCASP-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorobenzyl bromide,2-bromomethyl-1-chloro-3-fluorobenzene,2-chloro-6-fluorobenzylbromide,2-bromomethyl-1-chloro-3-fluoro-benzene,benzene, 2-bromomethyl-1-chloro-3-fluoro,2-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-2-chloro-6-fluorotoluene,pubchem4894,acmc-1bdpq PubChem CID: 2773625 IUPAC Name: 2-(bromomethyl)-1-chloro-3-fluorobenzene SMILES: FC1=CC=CC(Cl)=C1CBr
| PubChem CID | 2773625 |
|---|---|
| CAS | 68220-26-8 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD00040126 |
| SMILES | FC1=CC=CC(Cl)=C1CBr |
| Synonym | 2-chloro-6-fluorobenzyl bromide,2-bromomethyl-1-chloro-3-fluorobenzene,2-chloro-6-fluorobenzylbromide,2-bromomethyl-1-chloro-3-fluoro-benzene,benzene, 2-bromomethyl-1-chloro-3-fluoro,2-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-2-chloro-6-fluorotoluene,pubchem4894,acmc-1bdpq |
| IUPAC Name | 2-(bromomethyl)-1-chloro-3-fluorobenzene |
| InChI Key | IGUVNNXFTDCASP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |