Benzene and substituted derivatives
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tert-Butyl N-{2-[2-amino-4-(trifluoromethyl)anilino]ethyl}carbamate, 95%, Thermo Scientific™
CAS: 215655-42-8 Molecular Formula: C14H20F3N3O2 Molecular Weight (g/mol): 319.328 MDL Number: MFCD00728760 InChI Key: LBPALYCQELHDIC-UHFFFAOYSA-N Synonym: tert-butyl n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,tert-butyl n-2-2-amino-4-trifluoromethyl phenyl amino ethyl carbamate,tert-butyl 2-2-amino-4-trifluoromethyl phenyl amino ethylcarbamate,tert-butyl-n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,n-2-2-amino-4-trifluoromethyl phenyl amino ethyl tert-butoxy carboxamide,maybridge1_000225,tert-butyl 2-2-amino-4-trifluoromethyl anilino ethyl carbamate,t-butyl n-2-2-amino-4-trifluoromethyl anilino ethylcarbamate PubChem CID: 2773437 IUPAC Name: tert-butyl N-[2-[2-amino-4-(trifluoromethyl)anilino]ethyl]carbamate SMILES: CC(C)(C)OC(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)N
| PubChem CID | 2773437 |
|---|---|
| CAS | 215655-42-8 |
| Molecular Weight (g/mol) | 319.328 |
| MDL Number | MFCD00728760 |
| SMILES | CC(C)(C)OC(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)N |
| Synonym | tert-butyl n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,tert-butyl n-2-2-amino-4-trifluoromethyl phenyl amino ethyl carbamate,tert-butyl 2-2-amino-4-trifluoromethyl phenyl amino ethylcarbamate,tert-butyl-n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,n-2-2-amino-4-trifluoromethyl phenyl amino ethyl tert-butoxy carboxamide,maybridge1_000225,tert-butyl 2-2-amino-4-trifluoromethyl anilino ethyl carbamate,t-butyl n-2-2-amino-4-trifluoromethyl anilino ethylcarbamate |
| IUPAC Name | tert-butyl N-[2-[2-amino-4-(trifluoromethyl)anilino]ethyl]carbamate |
| InChI Key | LBPALYCQELHDIC-UHFFFAOYSA-N |
| Molecular Formula | C14H20F3N3O2 |
2-Bromo-4-chloro-1-iodobenzene, 98%
CAS: 31928-44-6 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.348 MDL Number: MFCD00672944 InChI Key: CXHXFDQEFKFYQJ-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene PubChem CID: 13741326 IUPAC Name: 2-bromo-4-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Br)I
| PubChem CID | 13741326 |
|---|---|
| CAS | 31928-44-6 |
| Molecular Weight (g/mol) | 317.348 |
| MDL Number | MFCD00672944 |
| SMILES | C1=CC(=C(C=C1Cl)Br)I |
| Synonym | 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene |
| IUPAC Name | 2-bromo-4-chloro-1-iodobenzene |
| InChI Key | CXHXFDQEFKFYQJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClI |
2,5-Dibromobenzoic acid, 98%
CAS: 610-71-9 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00016494 InChI Key: SQQKOTVDGCJJKI-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid PubChem CID: 11891 IUPAC Name: 2,5-dibromobenzoic acid SMILES: OC(=O)C1=CC(Br)=CC=C1Br
| PubChem CID | 11891 |
|---|---|
| CAS | 610-71-9 |
| Molecular Weight (g/mol) | 279.92 |
| MDL Number | MFCD00016494 |
| SMILES | OC(=O)C1=CC(Br)=CC=C1Br |
| Synonym | benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid |
| IUPAC Name | 2,5-dibromobenzoic acid |
| InChI Key | SQQKOTVDGCJJKI-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
2-Bromo-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals
CAS: 138642-47-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD01861260 InChI Key: ZQONVYONOASKIY-UHFFFAOYSA-N Synonym: benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile PubChem CID: 21784096 IUPAC Name: 2-bromo-5-methoxybenzonitrile SMILES: COC1=CC(=C(C=C1)Br)C#N
| PubChem CID | 21784096 |
|---|---|
| CAS | 138642-47-4 |
| Molecular Weight (g/mol) | 212.046 |
| MDL Number | MFCD01861260 |
| SMILES | COC1=CC(=C(C=C1)Br)C#N |
| Synonym | benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile |
| IUPAC Name | 2-bromo-5-methoxybenzonitrile |
| InChI Key | ZQONVYONOASKIY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |
4-Bromo-3-chloroaniline, 96%
CAS: 21402-26-6 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD00041311 InChI Key: QLYHPNUFNZJXOQ-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-3-chloro,3-chloro-4-bromoaniline,unii-2gtm4sw4oh,2gtm4sw4oh,4-bromo-3-chloro-aniline,4-bromo-3-chlorophenyl amine,pubchem3579,zlchem 1051,4-bromo-3-chloro aniline,4-bromo-3-chlorophenylamine PubChem CID: 88888 IUPAC Name: 4-bromo-3-chloroaniline SMILES: C1=CC(=C(C=C1N)Cl)Br
| PubChem CID | 88888 |
|---|---|
| CAS | 21402-26-6 |
| Molecular Weight (g/mol) | 206.467 |
| MDL Number | MFCD00041311 |
| SMILES | C1=CC(=C(C=C1N)Cl)Br |
| Synonym | benzenamine, 4-bromo-3-chloro,3-chloro-4-bromoaniline,unii-2gtm4sw4oh,2gtm4sw4oh,4-bromo-3-chloro-aniline,4-bromo-3-chlorophenyl amine,pubchem3579,zlchem 1051,4-bromo-3-chloro aniline,4-bromo-3-chlorophenylamine |
| IUPAC Name | 4-bromo-3-chloroaniline |
| InChI Key | QLYHPNUFNZJXOQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
4-Methoxyphenylacetic acid, 98+%
CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 7690 |
|---|---|
| CAS | 104-01-8 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:55501 |
| MDL Number | MFCD00004345 |
| SMILES | COC1=CC=C(C=C1)CC(=O)O |
| Synonym | 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid |
| IUPAC Name | 2-(4-methoxyphenyl)acetic acid |
| InChI Key | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,4-Difluorotoluene, 98+%
CAS: 452-76-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00000332 InChI Key: MPXDAIBTYWGBSL-UHFFFAOYSA-N PubChem CID: 67983 IUPAC Name: 2,4-difluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)F
| PubChem CID | 67983 |
|---|---|
| CAS | 452-76-6 |
| Molecular Weight (g/mol) | 128.122 |
| MDL Number | MFCD00000332 |
| SMILES | CC1=C(C=C(C=C1)F)F |
| IUPAC Name | 2,4-difluoro-1-methylbenzene |
| InChI Key | MPXDAIBTYWGBSL-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2 |
4-Iodobenzotrifluoride, 97%, Thermo Scientific Chemicals
CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I
| PubChem CID | 67993 |
|---|---|
| CAS | 455-13-0 |
| Molecular Weight (g/mol) | 272 |
| MDL Number | MFCD00039398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)I |
| Synonym | 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene |
| IUPAC Name | 1-iodo-4-(trifluoromethyl)benzene |
| InChI Key | SKGRFPGOGCHDPC-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3I |
Diphenyliodonium chloride, 98+%
CAS: 1483-72-3 Molecular Formula: C12H10ClI Molecular Weight (g/mol): 316.57 MDL Number: MFCD00011909 InChI Key: RSJLWBUYLGJOBD-UHFFFAOYSA-M Synonym: diphenyliodonium chloride,diphenyliodanium chloride,iodonium, diphenyl-, chloride,diphenyliodoniumchloride,c12h10i.cl,iodonium, diphenyl-, chloride 1:1,acmc-1bxx9 PubChem CID: 73870 IUPAC Name: diphenyliodanium;chloride SMILES: [Cl-].[I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 73870 |
|---|---|
| CAS | 1483-72-3 |
| Molecular Weight (g/mol) | 316.57 |
| MDL Number | MFCD00011909 |
| SMILES | [Cl-].[I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium chloride,diphenyliodanium chloride,iodonium, diphenyl-, chloride,diphenyliodoniumchloride,c12h10i.cl,iodonium, diphenyl-, chloride 1:1,acmc-1bxx9 |
| IUPAC Name | diphenyliodanium;chloride |
| InChI Key | RSJLWBUYLGJOBD-UHFFFAOYSA-M |
| Molecular Formula | C12H10ClI |
1-Fluoro-3-iodobenzene, 99%
CAS: 1121-86-4 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001044 InChI Key: VSKSBSORLCDRHS-UHFFFAOYSA-N Synonym: 3-fluoroiodobenzene,m-fluoroiodobenzene,3-iodofluorobenzene,m-iodofluorobenzene,benzene, 1-fluoro-3-iodo,m-fluorobenzene,1-fluoro-3-iodo-benzene,1-iodo-3-fluorobenzene,3-fluoro-1-iodobenzene,m-fluorjodbenzol PubChem CID: 70725 IUPAC Name: 1-fluoro-3-iodobenzene SMILES: FC1=CC=CC(I)=C1
| PubChem CID | 70725 |
|---|---|
| CAS | 1121-86-4 |
| Molecular Weight (g/mol) | 222.00 |
| MDL Number | MFCD00001044 |
| SMILES | FC1=CC=CC(I)=C1 |
| Synonym | 3-fluoroiodobenzene,m-fluoroiodobenzene,3-iodofluorobenzene,m-iodofluorobenzene,benzene, 1-fluoro-3-iodo,m-fluorobenzene,1-fluoro-3-iodo-benzene,1-iodo-3-fluorobenzene,3-fluoro-1-iodobenzene,m-fluorjodbenzol |
| IUPAC Name | 1-fluoro-3-iodobenzene |
| InChI Key | VSKSBSORLCDRHS-UHFFFAOYSA-N |
| Molecular Formula | C6H4FI |
4-Iodoanisole, Spectrum™ Chemical
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CAS: 696-62-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 InChI Key: SYSZENVIJHPFNL-UHFFFAOYSA-N IUPAC Name: 1-iodo-4-methoxybenzene SMILES: COC1=CC=C(I)C=C1
| CAS | 696-62-8 |
|---|---|
| Molecular Weight (g/mol) | 234.04 |
| SMILES | COC1=CC=C(I)C=C1 |
| IUPAC Name | 1-iodo-4-methoxybenzene |
| InChI Key | SYSZENVIJHPFNL-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
4-Iodobenzonitrile, 99%, Thermo Scientific Chemicals
CAS: 3058-39-7 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00051310 InChI Key: XOKDXPVXJWTSRM-UHFFFAOYSA-N Synonym: p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile PubChem CID: 76467 IUPAC Name: 4-iodobenzonitrile SMILES: IC1=CC=C(C=C1)C#N
| PubChem CID | 76467 |
|---|---|
| CAS | 3058-39-7 |
| Molecular Weight (g/mol) | 229.02 |
| MDL Number | MFCD00051310 |
| SMILES | IC1=CC=C(C=C1)C#N |
| Synonym | p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile |
| IUPAC Name | 4-iodobenzonitrile |
| InChI Key | XOKDXPVXJWTSRM-UHFFFAOYSA-N |
| Molecular Formula | C7H4IN |
3-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™
CAS: 859850-90-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.30 MDL Number: MFCD07772861 InChI Key: NNYDAONDPGWBRI-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl PubChem CID: 7164647 IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC2=CC=CC(=C2)C#N)CC1
| PubChem CID | 7164647 |
|---|---|
| CAS | 859850-90-1 |
| Molecular Weight (g/mol) | 215.30 |
| MDL Number | MFCD07772861 |
| SMILES | CN1CCN(CC2=CC=CC(=C2)C#N)CC1 |
| Synonym | 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl |
| IUPAC Name | 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile |
| InChI Key | NNYDAONDPGWBRI-UHFFFAOYSA-N |
| Molecular Formula | C13H17N3 |
2-Methoxy-4-nitrobenzoic acid, 98%
CAS: 2597-56-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00216573 InChI Key: KPJXEWJRJKEOCD-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb PubChem CID: 75776 IUPAC Name: 2-methoxy-4-nitrobenzoic acid SMILES: COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
| PubChem CID | 75776 |
|---|---|
| CAS | 2597-56-0 |
| Molecular Weight (g/mol) | 197.15 |
| MDL Number | MFCD00216573 |
| SMILES | COC1=CC(=CC=C1C(O)=O)[N+]([O-])=O |
| Synonym | 2-methoxy-4-nitrobenzoic acid,4-nitro-o-anisic acid,4-nitro-2-methoxybenzoic acid,rarechem al bo 1464,2-carboxy-5-nitroanisole,2-methoxy-4-nitro-benzoic acid,benzoic acid, 2-methoxy-4-nitro,4-nitro-2-methoxybenzoicacid,pubchem4977,acmc-20a5eb |
| IUPAC Name | 2-methoxy-4-nitrobenzoic acid |
| InChI Key | KPJXEWJRJKEOCD-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
Benzyl 3-bromopropyl ether, 95%
CAS: 54314-84-0 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00134570 InChI Key: PSUXTZLDBVEZTD-UHFFFAOYSA-N Synonym: benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether PubChem CID: 2776064 IUPAC Name: [(3-bromopropoxy)methyl]benzene SMILES: BrCCCOCC1=CC=CC=C1
| PubChem CID | 2776064 |
|---|---|
| CAS | 54314-84-0 |
| Molecular Weight (g/mol) | 229.12 |
| MDL Number | MFCD00134570 |
| SMILES | BrCCCOCC1=CC=CC=C1 |
| Synonym | benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether |
| IUPAC Name | [(3-bromopropoxy)methyl]benzene |
| InChI Key | PSUXTZLDBVEZTD-UHFFFAOYSA-N |
| Molecular Formula | C10H13BrO |