Benzene and substituted derivatives
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4-Bromo-2-fluorobenzoyl chloride, 99%
CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.46 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoyl chloride,benzoyl chloride, 4-bromo-2-fluoro,benzoyl chloride,4-bromo-2-fluoro,acmc-20amnm,4-bromo-2-fluorobenzoylchloride,4-bromo-2-fluoro-benzoyl chloride,4-bromo-2-fluorobenzoic acid chloride,4-bromanyl-2-fluoranyl-benzoyl chloride PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl
| PubChem CID | 2734026 |
|---|---|
| CAS | 151982-51-3 |
| Molecular Weight (g/mol) | 237.46 |
| MDL Number | MFCD03411584 |
| SMILES | C1=CC(=C(C=C1Br)F)C(=O)Cl |
| Synonym | 2-fluoro-4-bromobenzoyl chloride,benzoyl chloride, 4-bromo-2-fluoro,benzoyl chloride,4-bromo-2-fluoro,acmc-20amnm,4-bromo-2-fluorobenzoylchloride,4-bromo-2-fluoro-benzoyl chloride,4-bromo-2-fluorobenzoic acid chloride,4-bromanyl-2-fluoranyl-benzoyl chloride |
| IUPAC Name | 4-bromo-2-fluorobenzoyl chloride |
| InChI Key | PCFIABOQFAFDAU-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClFO |
4-tert-Butylphenoxyacetyl chloride, 98%
CAS: 90734-55-7 Molecular Formula: C12H15ClO2 Molecular Weight (g/mol): 226.70 MDL Number: MFCD00798568 InChI Key: CFTNMBDQWVPSHI-UHFFFAOYSA-N Synonym: 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride PubChem CID: 611195 IUPAC Name: 2-(4-tert-butylphenoxy)acetyl chloride SMILES: CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1
| PubChem CID | 611195 |
|---|---|
| CAS | 90734-55-7 |
| Molecular Weight (g/mol) | 226.70 |
| MDL Number | MFCD00798568 |
| SMILES | CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1 |
| Synonym | 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride |
| IUPAC Name | 2-(4-tert-butylphenoxy)acetyl chloride |
| InChI Key | CFTNMBDQWVPSHI-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClO2 |
Fluorobenzene, 99%
CAS: 462-06-6 Molecular Formula: C6H5F Molecular Weight (g/mol): 96.10 MDL Number: MFCD00000280 InChI Key: PYLWMHQQBFSUBP-UHFFFAOYSA-N Synonym: benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene PubChem CID: 10008 ChEBI: CHEBI:5115 IUPAC Name: fluorobenzene SMILES: FC1=CC=CC=C1
| PubChem CID | 10008 |
|---|---|
| CAS | 462-06-6 |
| Molecular Weight (g/mol) | 96.10 |
| ChEBI | CHEBI:5115 |
| MDL Number | MFCD00000280 |
| SMILES | FC1=CC=CC=C1 |
| Synonym | benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene |
| IUPAC Name | fluorobenzene |
| InChI Key | PYLWMHQQBFSUBP-UHFFFAOYSA-N |
| Molecular Formula | C6H5F |
Methyl 4-fluorophenylacetate, 98%
CAS: 34837-84-8 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00800608 InChI Key: AJPPKGMEHMXPMC-UHFFFAOYSA-N Synonym: methyl 2-4-fluorophenyl acetate,methyl 4-fluorophenylacetate,4-fluorophenylacetic acid methyl ester,pubchem24389,acmc-209iaq,methyl-4-fluorphenylacetate,methyl-4-fluorophenylacetate,methyl 4-fluorophenyl-acetate,methyl 4-fluorophenyl acetate PubChem CID: 2733233 IUPAC Name: methyl 2-(4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(C=C1)F
| PubChem CID | 2733233 |
|---|---|
| CAS | 34837-84-8 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00800608 |
| SMILES | COC(=O)CC1=CC=C(C=C1)F |
| Synonym | methyl 2-4-fluorophenyl acetate,methyl 4-fluorophenylacetate,4-fluorophenylacetic acid methyl ester,pubchem24389,acmc-209iaq,methyl-4-fluorphenylacetate,methyl-4-fluorophenylacetate,methyl 4-fluorophenyl-acetate,methyl 4-fluorophenyl acetate |
| IUPAC Name | methyl 2-(4-fluorophenyl)acetate |
| InChI Key | AJPPKGMEHMXPMC-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
4-(Bromomethyl)benzaldehyde, 97%, Thermo Scientific™
CAS: 51359-78-5 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 InChI Key: XYPVBKDHERGKJG-UHFFFAOYSA-N PubChem CID: 11206421 IUPAC Name: 4-(bromomethyl)benzaldehyde SMILES: C1=CC(=CC=C1CBr)C=O
| PubChem CID | 11206421 |
|---|---|
| CAS | 51359-78-5 |
| Molecular Weight (g/mol) | 199.047 |
| SMILES | C1=CC(=CC=C1CBr)C=O |
| IUPAC Name | 4-(bromomethyl)benzaldehyde |
| InChI Key | XYPVBKDHERGKJG-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
1-(4-Bromophenyl)-3,5-dimethyl-1H-pyrazole, 97%, Thermo Scientific™
CAS: 62546-27-4 Molecular Formula: C11H11BrN2 Molecular Weight (g/mol): 251.127 MDL Number: MFCD09817558 InChI Key: ATCMNDCOEJOOSF-UHFFFAOYSA-N Synonym: 1-4-bromophenyl-3,5-dimethyl-1h-pyrazole,1-4-bromophenyl-3,5-dimethylpyrazole,1h-pyrazole, 1-4-bromophenyl-3,5-dimethyl,acmc-209n4v PubChem CID: 24229761 IUPAC Name: 1-(4-bromophenyl)-3,5-dimethylpyrazole SMILES: CC1=CC(=NN1C2=CC=C(C=C2)Br)C
| PubChem CID | 24229761 |
|---|---|
| CAS | 62546-27-4 |
| Molecular Weight (g/mol) | 251.127 |
| MDL Number | MFCD09817558 |
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)Br)C |
| Synonym | 1-4-bromophenyl-3,5-dimethyl-1h-pyrazole,1-4-bromophenyl-3,5-dimethylpyrazole,1h-pyrazole, 1-4-bromophenyl-3,5-dimethyl,acmc-209n4v |
| IUPAC Name | 1-(4-bromophenyl)-3,5-dimethylpyrazole |
| InChI Key | ATCMNDCOEJOOSF-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrN2 |
N-Methyl-N-(3-nitrobenzyl)amine, 97+%, Thermo Scientific™
CAS: 19499-61-7 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 InChI Key: NTPAPKLGADEFAM-UHFFFAOYSA-N Synonym: n-methyl-1-3-nitrophenyl methanamine,n-methyl-n-3-nitrobenzyl amine,methyl 3-nitrophenyl methyl amine,benzenemethanamine, n-methyl-3-nitro,3-nitro-n-methylbenzylamine,n-methyl-3-nitrobenzylamine,n-3-nitrophenylmethyl methylamine,n-methyl-1-3-nitrophenyl methylamine PubChem CID: 409439 SMILES: CNCC1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 409439 |
|---|---|
| CAS | 19499-61-7 |
| Molecular Weight (g/mol) | 166.18 |
| SMILES | CNCC1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | n-methyl-1-3-nitrophenyl methanamine,n-methyl-n-3-nitrobenzyl amine,methyl 3-nitrophenyl methyl amine,benzenemethanamine, n-methyl-3-nitro,3-nitro-n-methylbenzylamine,n-methyl-3-nitrobenzylamine,n-3-nitrophenylmethyl methylamine,n-methyl-1-3-nitrophenyl methylamine |
| InChI Key | NTPAPKLGADEFAM-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Methylparaben, NF, 98-102%, Spectrum™ Chemical
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CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C=C1
| CAS | 99-76-3 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | methyl 4-hydroxybenzoate |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-Bromobenzyl mercaptan, 99%
CAS: 143888-85-1 Molecular Formula: C7H7BrS Molecular Weight (g/mol): 203.10 MDL Number: MFCD04038925 InChI Key: UJNSDLRPHRMVGZ-UHFFFAOYSA-N Synonym: 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 PubChem CID: 2773673 IUPAC Name: (2-bromophenyl)methanethiol SMILES: SCC1=CC=CC=C1Br
| PubChem CID | 2773673 |
|---|---|
| CAS | 143888-85-1 |
| Molecular Weight (g/mol) | 203.10 |
| MDL Number | MFCD04038925 |
| SMILES | SCC1=CC=CC=C1Br |
| Synonym | 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 |
| IUPAC Name | (2-bromophenyl)methanethiol |
| InChI Key | UJNSDLRPHRMVGZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrS |
Decafluorobenzophenone, 97%
CAS: 853-39-4 Molecular Formula: C13F10O Molecular Weight (g/mol): 362.126 MDL Number: MFCD00000295 InChI Key: WWQLXRAKBJVNCC-UHFFFAOYSA-N Synonym: decafluorobenzophenone,benzophenone, decafluoro,perfluorobenzophenone,methanone, bis pentafluorophenyl,bis perfluorophenyl methanone,bis pentafluorophenyl methanone,bis 2,3,4,5,6-pentafluorophenyl methanone,di2,3,4,5,6-pentafluorophenyl ketone,acmc-209q5n PubChem CID: 70068 IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)methanone SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
| PubChem CID | 70068 |
|---|---|
| CAS | 853-39-4 |
| Molecular Weight (g/mol) | 362.126 |
| MDL Number | MFCD00000295 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
| Synonym | decafluorobenzophenone,benzophenone, decafluoro,perfluorobenzophenone,methanone, bis pentafluorophenyl,bis perfluorophenyl methanone,bis pentafluorophenyl methanone,bis 2,3,4,5,6-pentafluorophenyl methanone,di2,3,4,5,6-pentafluorophenyl ketone,acmc-209q5n |
| IUPAC Name | bis(2,3,4,5,6-pentafluorophenyl)methanone |
| InChI Key | WWQLXRAKBJVNCC-UHFFFAOYSA-N |
| Molecular Formula | C13F10O |
4-Bromo-2-methylbenzoic acid, 98+%
CAS: 68837-59-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00040905 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5 PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O
| PubChem CID | 99570 |
|---|---|
| CAS | 68837-59-2 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00040905 |
| SMILES | CC1=C(C=CC(=C1)Br)C(=O)O |
| Synonym | 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5 |
| IUPAC Name | 4-bromo-2-methylbenzoic acid |
| InChI Key | RVCJOGNLYVNRDN-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-tert-Butylaniline, 98+%
CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N
| PubChem CID | 69861 |
|---|---|
| CAS | 769-92-6 |
| Molecular Weight (g/mol) | 149.237 |
| MDL Number | MFCD00007899 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N |
| Synonym | 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine |
| IUPAC Name | 4-tert-butylaniline |
| InChI Key | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
1,4-Phenylenediacetonitrile, 97%
CAS: 622-75-3 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.188 MDL Number: MFCD00001923 InChI Key: FUQCKESKNZBNOG-UHFFFAOYSA-N Synonym: 1,4-phenylenediacetonitrile,1,4-benzenediacetonitrile,p-xylylene dicyanide,p-phenylenediacetonitrile,p-benzenediacetonitrile,2,2'-1,4-phenylene diacetonitrile,p-bis cyanomethyl benzene,1,4-bis cyanomethyl benzene,p-cyanomethyl benzyl cyanide,2-4-cyanomethyl phenyl acetonitrile PubChem CID: 69327 IUPAC Name: 2-[4-(cyanomethyl)phenyl]acetonitrile SMILES: C1=CC(=CC=C1CC#N)CC#N
| PubChem CID | 69327 |
|---|---|
| CAS | 622-75-3 |
| Molecular Weight (g/mol) | 156.188 |
| MDL Number | MFCD00001923 |
| SMILES | C1=CC(=CC=C1CC#N)CC#N |
| Synonym | 1,4-phenylenediacetonitrile,1,4-benzenediacetonitrile,p-xylylene dicyanide,p-phenylenediacetonitrile,p-benzenediacetonitrile,2,2'-1,4-phenylene diacetonitrile,p-bis cyanomethyl benzene,1,4-bis cyanomethyl benzene,p-cyanomethyl benzyl cyanide,2-4-cyanomethyl phenyl acetonitrile |
| IUPAC Name | 2-[4-(cyanomethyl)phenyl]acetonitrile |
| InChI Key | FUQCKESKNZBNOG-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
5-Fluoro-2-(trifluoromethyl)phenol, 97%, Thermo Scientific Chemicals
CAS: 243459-91-8 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00236302 InChI Key: QWLZSSYHAJSEHU-UHFFFAOYSA-N PubChem CID: 2774803 IUPAC Name: 5-fluoro-2-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1F)O)C(F)(F)F
| PubChem CID | 2774803 |
|---|---|
| CAS | 243459-91-8 |
| Molecular Weight (g/mol) | 180.102 |
| MDL Number | MFCD00236302 |
| SMILES | C1=CC(=C(C=C1F)O)C(F)(F)F |
| IUPAC Name | 5-fluoro-2-(trifluoromethyl)phenol |
| InChI Key | QWLZSSYHAJSEHU-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
3,5-Dichlorobenzoyl chloride, 96%
CAS: 2905-62-6 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00009817 InChI Key: GGHLXLVPNZMBQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 3,5-dichloro,3,5-dichlorobenzoylchloride,dichlorobenzoylchloride 3,5-,pubchem10805,dsstox_cid_7506,acmc-209h6l,dsstox_rid_78478,dsstox_gsid_27506,ksc204k6p,3,5-dichloro benzoyl chloride PubChem CID: 76191 IUPAC Name: 3,5-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC(Cl)=CC(Cl)=C1
| PubChem CID | 76191 |
|---|---|
| CAS | 2905-62-6 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00009817 |
| SMILES | ClC(=O)C1=CC(Cl)=CC(Cl)=C1 |
| Synonym | benzoyl chloride, 3,5-dichloro,3,5-dichlorobenzoylchloride,dichlorobenzoylchloride 3,5-,pubchem10805,dsstox_cid_7506,acmc-209h6l,dsstox_rid_78478,dsstox_gsid_27506,ksc204k6p,3,5-dichloro benzoyl chloride |
| IUPAC Name | 3,5-dichlorobenzoyl chloride |
| InChI Key | GGHLXLVPNZMBQR-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |