Benzene and substituted derivatives
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2,4-Dibromoanisole, 98%, Thermo Scientific™
CAS: 21702-84-1 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.92 MDL Number: MFCD00000079 InChI Key: XGXUGXPKRBQINS-UHFFFAOYSA-N Synonym: 2,4-dibromoanisole,benzene, 2,4-dibromo-1-methoxy,benzene,2,4-dibromo-1-methoxy,pubchem3847,acmc-209fnf,maybridge1_003667,chemwish ic06728,2,4-dibromo-1-methoxy-benzene,xgxugxpkrbqins-uhfffaoysa,# PubChem CID: 27011 IUPAC Name: 2,4-dibromo-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Br)Br
| PubChem CID | 27011 |
|---|---|
| CAS | 21702-84-1 |
| Molecular Weight (g/mol) | 265.92 |
| MDL Number | MFCD00000079 |
| SMILES | COC1=C(C=C(C=C1)Br)Br |
| Synonym | 2,4-dibromoanisole,benzene, 2,4-dibromo-1-methoxy,benzene,2,4-dibromo-1-methoxy,pubchem3847,acmc-209fnf,maybridge1_003667,chemwish ic06728,2,4-dibromo-1-methoxy-benzene,xgxugxpkrbqins-uhfffaoysa,# |
| IUPAC Name | 2,4-dibromo-1-methoxybenzene |
| InChI Key | XGXUGXPKRBQINS-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2O |
3-Chloroanisole, 98+%
CAS: 2845-89-8 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000591 InChI Key: YUKILTJWFRTXGB-UHFFFAOYSA-N Synonym: 3-chloroanisole,m-chloroanisole,benzene, 1-chloro-3-methoxy,anisole, m-chloro,3-chloroanisol,meta-chloroanisole,3-anisolyl chloride,pubchem3615,3-chloromethoxybenzene,m-methoxyphenyl chloride PubChem CID: 17833 IUPAC Name: 1-chloro-3-methoxybenzene SMILES: COC1=CC(=CC=C1)Cl
| PubChem CID | 17833 |
|---|---|
| CAS | 2845-89-8 |
| Molecular Weight (g/mol) | 142.582 |
| MDL Number | MFCD00000591 |
| SMILES | COC1=CC(=CC=C1)Cl |
| Synonym | 3-chloroanisole,m-chloroanisole,benzene, 1-chloro-3-methoxy,anisole, m-chloro,3-chloroanisol,meta-chloroanisole,3-anisolyl chloride,pubchem3615,3-chloromethoxybenzene,m-methoxyphenyl chloride |
| IUPAC Name | 1-chloro-3-methoxybenzene |
| InChI Key | YUKILTJWFRTXGB-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
2-Bromo-5-fluoroanisole, 97%
CAS: 450-88-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD04973752 InChI Key: KGYXKRGMSUHYCY-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene PubChem CID: 7018043 IUPAC Name: 1-bromo-4-fluoro-2-methoxybenzene SMILES: COC1=CC(F)=CC=C1Br
| PubChem CID | 7018043 |
|---|---|
| CAS | 450-88-4 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD04973752 |
| SMILES | COC1=CC(F)=CC=C1Br |
| Synonym | 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene |
| IUPAC Name | 1-bromo-4-fluoro-2-methoxybenzene |
| InChI Key | KGYXKRGMSUHYCY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
4-Chloroanisole, 99%
CAS: 623-12-1 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 InChI Key: YRGAYAGBVIXNAQ-UHFFFAOYSA-N Synonym: 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q PubChem CID: 12167 IUPAC Name: 1-chloro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Cl
| PubChem CID | 12167 |
|---|---|
| CAS | 623-12-1 |
| Molecular Weight (g/mol) | 142.58 |
| SMILES | COC1=CC=C(C=C1)Cl |
| Synonym | 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q |
| IUPAC Name | 1-chloro-4-methoxybenzene |
| InChI Key | YRGAYAGBVIXNAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
4-Ethylanisole, 98+%
CAS: 1515-95-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00015176 InChI Key: HDNRAPAFJLXKBV-UHFFFAOYSA-N Synonym: 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv PubChem CID: 73690 IUPAC Name: 1-ethyl-4-methoxybenzene SMILES: CCC1=CC=C(C=C1)OC
| PubChem CID | 73690 |
|---|---|
| CAS | 1515-95-3 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00015176 |
| SMILES | CCC1=CC=C(C=C1)OC |
| Synonym | 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv |
| IUPAC Name | 1-ethyl-4-methoxybenzene |
| InChI Key | HDNRAPAFJLXKBV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
3,4-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF
CAS: 738580-43-3 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.32 MDL Number: MFCD04038253 InChI Key: XDAZDGMKYDLAIW-UHFFFAOYSA-M Synonym: 3,4-difluorobenzylmagnesium bromide,bromo 3,4-difluorophenyl methyl magnesium,xdazdgmkydlaiw-uhfffaoysa-m,3,4-difluorobenzylmagnesium bromide, 0.25m in 2-methf,3,4-difluorobenzylmagnesium bromide 0.25 m in diethyl ether,3,4-difluorobenzylmagnesium bromide 0.25m solution in diethyl ether,grignard reagent PubChem CID: 2778253 IUPAC Name: magnesium;1,2-difluoro-4-methanidylbenzene;bromide SMILES: FC1=C(F)C=C(C[Mg]Br)C=C1
| PubChem CID | 2778253 |
|---|---|
| CAS | 738580-43-3 |
| Molecular Weight (g/mol) | 231.32 |
| MDL Number | MFCD04038253 |
| SMILES | FC1=C(F)C=C(C[Mg]Br)C=C1 |
| Synonym | 3,4-difluorobenzylmagnesium bromide,bromo 3,4-difluorophenyl methyl magnesium,xdazdgmkydlaiw-uhfffaoysa-m,3,4-difluorobenzylmagnesium bromide, 0.25m in 2-methf,3,4-difluorobenzylmagnesium bromide 0.25 m in diethyl ether,3,4-difluorobenzylmagnesium bromide 0.25m solution in diethyl ether,grignard reagent |
| IUPAC Name | magnesium;1,2-difluoro-4-methanidylbenzene;bromide |
| InChI Key | XDAZDGMKYDLAIW-UHFFFAOYSA-M |
| Molecular Formula | C7H5BrF2Mg |
2-Fluoro-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals
CAS: 127667-01-0 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00142921 InChI Key: VBZLRHYLNXWZIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 PubChem CID: 2774546 IUPAC Name: 2-fluoro-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(F)C=C1
| PubChem CID | 2774546 |
|---|---|
| CAS | 127667-01-0 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD00142921 |
| SMILES | COC1=CC(C#N)=C(F)C=C1 |
| Synonym | 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 |
| IUPAC Name | 2-fluoro-5-methoxybenzonitrile |
| InChI Key | VBZLRHYLNXWZIU-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
2-Methoxybenzoic acid, 98+%
CAS: 579-75-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002431 InChI Key: ILUJQPXNXACGAN-UHFFFAOYSA-N Synonym: o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid PubChem CID: 11370 ChEBI: CHEBI:421840 IUPAC Name: 2-methoxybenzoic acid SMILES: COC1=CC=CC=C1C(=O)O
| PubChem CID | 11370 |
|---|---|
| CAS | 579-75-9 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:421840 |
| MDL Number | MFCD00002431 |
| SMILES | COC1=CC=CC=C1C(=O)O |
| Synonym | o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid |
| IUPAC Name | 2-methoxybenzoic acid |
| InChI Key | ILUJQPXNXACGAN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-Bromo-4-nitro-1-(trifluoromethoxy)benzene, 98%
CAS: 200958-40-3 Molecular Formula: C7H3BrF3NO3 Molecular Weight (g/mol): 286.00 MDL Number: MFCD04973758 InChI Key: LVTAFGFYMLODQP-UHFFFAOYSA-N PubChem CID: 24721641 IUPAC Name: 2-bromo-4-nitro-1-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1
| PubChem CID | 24721641 |
|---|---|
| CAS | 200958-40-3 |
| Molecular Weight (g/mol) | 286.00 |
| MDL Number | MFCD04973758 |
| SMILES | [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1 |
| IUPAC Name | 2-bromo-4-nitro-1-(trifluoromethoxy)benzene |
| InChI Key | LVTAFGFYMLODQP-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF3NO3 |
Ethyl alpha,4-dibromophenylacetate, 97+%
CAS: 77143-76-1 Molecular Formula: C10H10Br2O2 Molecular Weight (g/mol): 321.996 MDL Number: MFCD09953497 InChI Key: PPRAWWBOUOBAON-UHFFFAOYSA-N Synonym: ethyl 2-bromo-2-4-bromophenyl acetate,ethyl 2-bromo-4-bromophenyl acetate,ethyl bromo 4-bromophenyl acetate,alpha,4-dibromophenylacetic acid ethyl ester,ethyl alpha,4-dibromophenylacetate,ethyl2-bromo-2-4-bromophenyl acetate,ethyl 2-bromanyl-2-4-bromophenyl ethanoate,benzeneacetic acid, ?,4-dibromo-, ethyl ester,benzeneacetic acid, a,4-dibromo-, ethyl ester PubChem CID: 12754876 IUPAC Name: ethyl 2-bromo-2-(4-bromophenyl)acetate SMILES: CCOC(=O)C(C1=CC=C(C=C1)Br)Br
| PubChem CID | 12754876 |
|---|---|
| CAS | 77143-76-1 |
| Molecular Weight (g/mol) | 321.996 |
| MDL Number | MFCD09953497 |
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)Br)Br |
| Synonym | ethyl 2-bromo-2-4-bromophenyl acetate,ethyl 2-bromo-4-bromophenyl acetate,ethyl bromo 4-bromophenyl acetate,alpha,4-dibromophenylacetic acid ethyl ester,ethyl alpha,4-dibromophenylacetate,ethyl2-bromo-2-4-bromophenyl acetate,ethyl 2-bromanyl-2-4-bromophenyl ethanoate,benzeneacetic acid, ?,4-dibromo-, ethyl ester,benzeneacetic acid, a,4-dibromo-, ethyl ester |
| IUPAC Name | ethyl 2-bromo-2-(4-bromophenyl)acetate |
| InChI Key | PPRAWWBOUOBAON-UHFFFAOYSA-N |
| Molecular Formula | C10H10Br2O2 |
3-Phenoxyanisole, 97%
CAS: 1655-68-1 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00455605 InChI Key: CBVXNDCIOLXDFD-UHFFFAOYSA-N PubChem CID: 74252 IUPAC Name: 1-methoxy-3-phenoxybenzene SMILES: COC1=CC=CC(OC2=CC=CC=C2)=C1
| PubChem CID | 74252 |
|---|---|
| CAS | 1655-68-1 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD00455605 |
| SMILES | COC1=CC=CC(OC2=CC=CC=C2)=C1 |
| IUPAC Name | 1-methoxy-3-phenoxybenzene |
| InChI Key | CBVXNDCIOLXDFD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
Methyl 4-amino-3-bromo-5-nitrobenzoate, 97%, Thermo Scientific Chemicals
CAS: 105655-17-2 Molecular Formula: C8H7BrN2O4 Molecular Weight (g/mol): 275.058 MDL Number: MFCD08443938 InChI Key: PRTLMEWWYBJZPN-UHFFFAOYSA-N Synonym: methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester PubChem CID: 13685347 IUPAC Name: methyl 4-amino-3-bromo-5-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
| PubChem CID | 13685347 |
|---|---|
| CAS | 105655-17-2 |
| Molecular Weight (g/mol) | 275.058 |
| MDL Number | MFCD08443938 |
| SMILES | COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] |
| Synonym | methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-amino-3-bromo-5-nitrobenzoate |
| InChI Key | PRTLMEWWYBJZPN-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrN2O4 |
2-Chloro-4-fluoro-3-methylbenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 173315-54-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.58 MDL Number: MFCD11846444 InChI Key: DBMUFFHLBXKTDM-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-fluoro-3-methyl,2-chloro-4-fluoro-3-methyl-benzoic acid,2-chloro-3-methyl-4-fluoro-benzoic acid,2-chloro-4-fluoro-3-methyl benzoic acid PubChem CID: 10845315 IUPAC Name: 2-chloro-4-fluoro-3-methylbenzoic acid SMILES: CC1=C(F)C=CC(C(O)=O)=C1Cl
| PubChem CID | 10845315 |
|---|---|
| CAS | 173315-54-3 |
| Molecular Weight (g/mol) | 188.58 |
| MDL Number | MFCD11846444 |
| SMILES | CC1=C(F)C=CC(C(O)=O)=C1Cl |
| Synonym | benzoic acid, 2-chloro-4-fluoro-3-methyl,2-chloro-4-fluoro-3-methyl-benzoic acid,2-chloro-3-methyl-4-fluoro-benzoic acid,2-chloro-4-fluoro-3-methyl benzoic acid |
| IUPAC Name | 2-chloro-4-fluoro-3-methylbenzoic acid |
| InChI Key | DBMUFFHLBXKTDM-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO2 |
4-(4-Fluorophenoxy)benzaldehyde, 97%
CAS: 137736-06-2 Molecular Formula: C13H9FO2 Molecular Weight (g/mol): 216.21 MDL Number: MFCD01631896 InChI Key: YUPBWHURNLRZQL-UHFFFAOYSA-N Synonym: 4-4-fluorophenoxy benzaldehyde,4-4'-fluorophenoxy benzaldehyde,4-4-fluoro-phenoxy-benzaldehyde,benzaldehyde, 4-4-fluorophenoxy,pubchem23015,acmc-209ceq,yupbwhurnlrzql-uhfffaoysa,4-4-fluorophenoxyl benzaldehyde,4-fluoro-4'-formyldiphenyl ether PubChem CID: 3856802 IUPAC Name: 4-(4-fluorophenoxy)benzaldehyde SMILES: FC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1
| PubChem CID | 3856802 |
|---|---|
| CAS | 137736-06-2 |
| Molecular Weight (g/mol) | 216.21 |
| MDL Number | MFCD01631896 |
| SMILES | FC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1 |
| Synonym | 4-4-fluorophenoxy benzaldehyde,4-4'-fluorophenoxy benzaldehyde,4-4-fluoro-phenoxy-benzaldehyde,benzaldehyde, 4-4-fluorophenoxy,pubchem23015,acmc-209ceq,yupbwhurnlrzql-uhfffaoysa,4-4-fluorophenoxyl benzaldehyde,4-fluoro-4'-formyldiphenyl ether |
| IUPAC Name | 4-(4-fluorophenoxy)benzaldehyde |
| InChI Key | YUPBWHURNLRZQL-UHFFFAOYSA-N |
| Molecular Formula | C13H9FO2 |
3-Methoxy-4-methylaniline, 99+%
CAS: 16452-01-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00025371 InChI Key: ONADZNBSLRAJFW-UHFFFAOYSA-N Synonym: o-cresidine,benzenamine, 3-methoxy-4-methyl,3-methoxy-4-methyl aniline,ccris 4606,unii-v82scc5x3q,5-amino-2-methylanisole,5-amino-2-methyl-anisol,2-methoxy-4-aminotoluene,3-methoxy-4-methyl-aniline,v82scc5x3q PubChem CID: 27882 IUPAC Name: 3-methoxy-4-methylaniline SMILES: COC1=CC(N)=CC=C1C
| PubChem CID | 27882 |
|---|---|
| CAS | 16452-01-0 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00025371 |
| SMILES | COC1=CC(N)=CC=C1C |
| Synonym | o-cresidine,benzenamine, 3-methoxy-4-methyl,3-methoxy-4-methyl aniline,ccris 4606,unii-v82scc5x3q,5-amino-2-methylanisole,5-amino-2-methyl-anisol,2-methoxy-4-aminotoluene,3-methoxy-4-methyl-aniline,v82scc5x3q |
| IUPAC Name | 3-methoxy-4-methylaniline |
| InChI Key | ONADZNBSLRAJFW-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |