Benzene and substituted derivatives
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3-Bromo-5-nitrobenzaldehyde, 97+%
CAS: 355134-13-3 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.017 MDL Number: MFCD00100097 InChI Key: OUDCOMBHRXKPIJ-UHFFFAOYSA-N Synonym: benzaldehyde, 3-bromo-5-nitro,3-bromo-5-nitro-benzaldehyde,3-bromo-5-nitro benzaldehyde,ksc497m5f,3-nitro-5-bromo-benzaldehyde,3-bromanyl-5-nitro-benzaldehyde,5-bromo-3-nitrobenzaldehyde,3-bromo-5-nitrobenzaldehyde PubChem CID: 16743966 IUPAC Name: 3-bromo-5-nitrobenzaldehyde SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O
| PubChem CID | 16743966 |
|---|---|
| CAS | 355134-13-3 |
| Molecular Weight (g/mol) | 230.017 |
| MDL Number | MFCD00100097 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O |
| Synonym | benzaldehyde, 3-bromo-5-nitro,3-bromo-5-nitro-benzaldehyde,3-bromo-5-nitro benzaldehyde,ksc497m5f,3-nitro-5-bromo-benzaldehyde,3-bromanyl-5-nitro-benzaldehyde,5-bromo-3-nitrobenzaldehyde,3-bromo-5-nitrobenzaldehyde |
| IUPAC Name | 3-bromo-5-nitrobenzaldehyde |
| InChI Key | OUDCOMBHRXKPIJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO3 |
4-Fluoro-2-nitrobenzaldehyde, 98%
CAS: 2923-96-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD01666439 InChI Key: ORCGMGUNVGVHDN-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitro-benzaldehyde,benzaldehyde, 4-fluoro-2-nitro,pubchem15643,acmc-1chrz,wln: wnr cf fvh,2-nitro-4-fluorobenzaldehyde,ksc494k6p,4-fluoro-2-nitro benzaldehyde PubChem CID: 76226 IUPAC Name: 4-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC(F)=CC=C1C=O
| PubChem CID | 76226 |
|---|---|
| CAS | 2923-96-8 |
| Molecular Weight (g/mol) | 169.11 |
| MDL Number | MFCD01666439 |
| SMILES | [O-][N+](=O)C1=CC(F)=CC=C1C=O |
| Synonym | 4-fluoro-2-nitro-benzaldehyde,benzaldehyde, 4-fluoro-2-nitro,pubchem15643,acmc-1chrz,wln: wnr cf fvh,2-nitro-4-fluorobenzaldehyde,ksc494k6p,4-fluoro-2-nitro benzaldehyde |
| IUPAC Name | 4-fluoro-2-nitrobenzaldehyde |
| InChI Key | ORCGMGUNVGVHDN-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
(Benzoylmethylene)triphenylphosphorane, 98+%
CAS: 859-65-4 Molecular Formula: C26H21OP Molecular Weight (g/mol): 380.43 MDL Number: MFCD00014088 InChI Key: MZRSAJZDYIISJW-UHFFFAOYSA-N Synonym: benzoylmethylene triphenylphosphorane,2-triphenylphosphoranylidene acetophenone,1-phenyl-2-triphenylphosphoranylidene ethanone,phenacylidenetriphenyl phosphorane,phenylcarbonylmethylene triphenylphosphorane,acetophenone, 2-triphenylphosphoranylidene,phenacylidenetriphenylphosphorane,triphenylphosphinebenzoylmethylene,ethanone, 1-phenyl-2-triphenylphosphoranylidene PubChem CID: 70073 IUPAC Name: 1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethanone SMILES: O=C(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70073 |
|---|---|
| CAS | 859-65-4 |
| Molecular Weight (g/mol) | 380.43 |
| MDL Number | MFCD00014088 |
| SMILES | O=C(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzoylmethylene triphenylphosphorane,2-triphenylphosphoranylidene acetophenone,1-phenyl-2-triphenylphosphoranylidene ethanone,phenacylidenetriphenyl phosphorane,phenylcarbonylmethylene triphenylphosphorane,acetophenone, 2-triphenylphosphoranylidene,phenacylidenetriphenylphosphorane,triphenylphosphinebenzoylmethylene,ethanone, 1-phenyl-2-triphenylphosphoranylidene |
| IUPAC Name | 1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethanone |
| InChI Key | MZRSAJZDYIISJW-UHFFFAOYSA-N |
| Molecular Formula | C26H21OP |
4-Bromophenylacetylene, 97%
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 |
4-Chloro-2-methoxybenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 90296-27-8 Molecular Formula: C8H9ClO2 Molecular Weight (g/mol): 172.61 MDL Number: MFCD02683547 InChI Key: AXXPZAITCCIOIA-UHFFFAOYSA-N Synonym: 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 PubChem CID: 3549393 IUPAC Name: (4-chloro-2-methoxyphenyl)methanol SMILES: COC1=C(CO)C=CC(Cl)=C1
| PubChem CID | 3549393 |
|---|---|
| CAS | 90296-27-8 |
| Molecular Weight (g/mol) | 172.61 |
| MDL Number | MFCD02683547 |
| SMILES | COC1=C(CO)C=CC(Cl)=C1 |
| Synonym | 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 |
| IUPAC Name | (4-chloro-2-methoxyphenyl)methanol |
| InChI Key | AXXPZAITCCIOIA-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO2 |
(R)-(-)-4-Fluorostyrene oxide, 98+%, ee 98+%, Thermo Scientific Chemicals
CAS: 134356-73-3 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD03788740,MFCD00043994,MFCD03788740 InChI Key: ICVNPQMUUHPPOK-UHFFFAOYNA-N Synonym: r-4-fluorophenyl oxirane,r-2-4-fluorophenyl oxirane,2r-2-4-fluorophenyl oxirane,r-4-fluorostyrene oxide,r---4-fluorostyrene oxide,pubchem18166,r-4-fluorophenyl oxirane, technical gc PubChem CID: 7023123 IUPAC Name: (2R)-2-(4-fluorophenyl)oxirane SMILES: FC1=CC=C(C=C1)C1CO1
| PubChem CID | 7023123 |
|---|---|
| CAS | 134356-73-3 |
| Molecular Weight (g/mol) | 138.14 |
| MDL Number | MFCD03788740,MFCD00043994,MFCD03788740 |
| SMILES | FC1=CC=C(C=C1)C1CO1 |
| Synonym | r-4-fluorophenyl oxirane,r-2-4-fluorophenyl oxirane,2r-2-4-fluorophenyl oxirane,r-4-fluorostyrene oxide,r---4-fluorostyrene oxide,pubchem18166,r-4-fluorophenyl oxirane, technical gc |
| IUPAC Name | (2R)-2-(4-fluorophenyl)oxirane |
| InChI Key | ICVNPQMUUHPPOK-UHFFFAOYNA-N |
| Molecular Formula | C8H7FO |
Methyl 5-amino-2-methylbenzoate, 97%
CAS: 18595-12-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD08752568 InChI Key: JNPZKGOLYSCSEL-UHFFFAOYSA-N PubChem CID: 15049977 IUPAC Name: methyl 5-amino-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=CC(N)=C1
| PubChem CID | 15049977 |
|---|---|
| CAS | 18595-12-5 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD08752568 |
| SMILES | COC(=O)C1=C(C)C=CC(N)=C1 |
| IUPAC Name | methyl 5-amino-2-methylbenzoate |
| InChI Key | JNPZKGOLYSCSEL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Bromo-3-fluoroaniline, 97%
CAS: 111721-75-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD07369915 InChI Key: XZRSXRUYZXBTGD-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine PubChem CID: 14770005 IUPAC Name: 2-bromo-3-fluoroaniline SMILES: C1=CC(=C(C(=C1)F)Br)N
| PubChem CID | 14770005 |
|---|---|
| CAS | 111721-75-6 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD07369915 |
| SMILES | C1=CC(=C(C(=C1)F)Br)N |
| Synonym | 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine |
| IUPAC Name | 2-bromo-3-fluoroaniline |
| InChI Key | XZRSXRUYZXBTGD-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
3,3',5,5'-Tetramethylbenzidine dihydrochloride, 99%
CAS: 64285-73-0 Molecular Formula: C16H22Cl2N2 Molecular Weight (g/mol): 313.27 MDL Number: MFCD00012961 InChI Key: NYNRGZULARUZCC-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine dihydrochloride,tmb dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3',5,5'-tetramethyl-, dihydrochloride,tetramethylbenzidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3',5,5'-tetramethyl-, hydrochloride 1:2,4-4-amino-3,5-dimethylphenyl-2,6-dimethylaniline dihydrochloride,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,3,3',5,5'-tetramethyl 1,1'-biphenyl-4,4'-diamine dihydrochloride PubChem CID: 174033 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrochloride SMILES: [H+].[H+].[Cl-].[Cl-].CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1
| PubChem CID | 174033 |
|---|---|
| CAS | 64285-73-0 |
| Molecular Weight (g/mol) | 313.27 |
| MDL Number | MFCD00012961 |
| SMILES | [H+].[H+].[Cl-].[Cl-].CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1 |
| Synonym | 3,3',5,5'-tetramethylbenzidine dihydrochloride,tmb dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3',5,5'-tetramethyl-, dihydrochloride,tetramethylbenzidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3',5,5'-tetramethyl-, hydrochloride 1:2,4-4-amino-3,5-dimethylphenyl-2,6-dimethylaniline dihydrochloride,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,3,3',5,5'-tetramethyl 1,1'-biphenyl-4,4'-diamine dihydrochloride |
| IUPAC Name | 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrochloride |
| InChI Key | NYNRGZULARUZCC-UHFFFAOYSA-N |
| Molecular Formula | C16H22Cl2N2 |
5-Bromo-2-fluoroaniline, 98%
CAS: 2924-09-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD03094181 InChI Key: ADWKOCXRCRSMLQ-UHFFFAOYSA-N
| CAS | 2924-09-6 |
|---|---|
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD03094181 |
| InChI Key | ADWKOCXRCRSMLQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
2-[4-(Trifluoromethyl)phenyl]ethylamine, 98%
CAS: 775-00-8 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD01529875 InChI Key: HMFOBPNVAAAACP-UHFFFAOYSA-N Synonym: 4-trifluoromethylphenethylamine,2-4-trifluoromethyl-phenyl-ethylamine,2-4-trifluoromethyl phenyl ethanamine,4-trifluoromethyl phenethylamine,2-4-trifluoromethyl-phenyl ethylamine,2-4-trifluoromethylphenyl ethylamine,2-4-trifluoromethyl phenyl ethan-1-amine,2-4-trifluoromethyl phenyl ethylamine,2-4-trifluoromethyl phenyl ethyl amine PubChem CID: 1988106 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]ethanamine SMILES: C1=CC(=CC=C1CCN)C(F)(F)F
| PubChem CID | 1988106 |
|---|---|
| CAS | 775-00-8 |
| Molecular Weight (g/mol) | 189.181 |
| MDL Number | MFCD01529875 |
| SMILES | C1=CC(=CC=C1CCN)C(F)(F)F |
| Synonym | 4-trifluoromethylphenethylamine,2-4-trifluoromethyl-phenyl-ethylamine,2-4-trifluoromethyl phenyl ethanamine,4-trifluoromethyl phenethylamine,2-4-trifluoromethyl-phenyl ethylamine,2-4-trifluoromethylphenyl ethylamine,2-4-trifluoromethyl phenyl ethan-1-amine,2-4-trifluoromethyl phenyl ethylamine,2-4-trifluoromethyl phenyl ethyl amine |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]ethanamine |
| InChI Key | HMFOBPNVAAAACP-UHFFFAOYSA-N |
| Molecular Formula | C9H10F3N |
2,6-Dimethylbenzaldehyde, 97%
CAS: 1123-56-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00128003 InChI Key: QOJQBWSZHCKOLL-UHFFFAOYSA-N Synonym: m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde PubChem CID: 583841 IUPAC Name: 2,6-dimethylbenzaldehyde SMILES: CC1=C(C(=CC=C1)C)C=O
| PubChem CID | 583841 |
|---|---|
| CAS | 1123-56-4 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00128003 |
| SMILES | CC1=C(C(=CC=C1)C)C=O |
| Synonym | m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde |
| IUPAC Name | 2,6-dimethylbenzaldehyde |
| InChI Key | QOJQBWSZHCKOLL-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-[2-(Trifluoromethyl)phenyl]ethylamine, 95%
CAS: 774-18-5 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.18 MDL Number: MFCD00128232 InChI Key: LIERORLYMWHXDL-UHFFFAOYSA-N Synonym: 2-2-trifluoromethyl phenyl ethanamine,o-trifluoromethyl phenethylamine,2-2-trifluoromethyl phenyl ethan-1-amine,2-o-trifluoromethylphenyl ethylamine,2-2-trifluoromethylphenyl ethylamine,2-trifluoromethyl phenethylamine,2-2-trifluoromethyl-phenyl-ethylamine,2-2-trifluoromethyl phenyl ethyl amine,2-trifluoromethylphenylethanamine,benzeneethanamine,2-trifluoromethyl PubChem CID: 69883 IUPAC Name: 2-[2-(trifluoromethyl)phenyl]ethanamine SMILES: NCCC1=CC=CC=C1C(F)(F)F
| PubChem CID | 69883 |
|---|---|
| CAS | 774-18-5 |
| Molecular Weight (g/mol) | 189.18 |
| MDL Number | MFCD00128232 |
| SMILES | NCCC1=CC=CC=C1C(F)(F)F |
| Synonym | 2-2-trifluoromethyl phenyl ethanamine,o-trifluoromethyl phenethylamine,2-2-trifluoromethyl phenyl ethan-1-amine,2-o-trifluoromethylphenyl ethylamine,2-2-trifluoromethylphenyl ethylamine,2-trifluoromethyl phenethylamine,2-2-trifluoromethyl-phenyl-ethylamine,2-2-trifluoromethyl phenyl ethyl amine,2-trifluoromethylphenylethanamine,benzeneethanamine,2-trifluoromethyl |
| IUPAC Name | 2-[2-(trifluoromethyl)phenyl]ethanamine |
| InChI Key | LIERORLYMWHXDL-UHFFFAOYSA-N |
| Molecular Formula | C9H10F3N |
2-Amino-3-fluorobenzonitrile, 95%
CAS: 115661-37-5 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 InChI Key: UNISSOLHERSZOW-UHFFFAOYSA-N PubChem CID: 2783392 IUPAC Name: 2-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C(=C1)F)N)C#N
| PubChem CID | 2783392 |
|---|---|
| CAS | 115661-37-5 |
| Molecular Weight (g/mol) | 136.129 |
| SMILES | C1=CC(=C(C(=C1)F)N)C#N |
| IUPAC Name | 2-amino-3-fluorobenzonitrile |
| InChI Key | UNISSOLHERSZOW-UHFFFAOYSA-N |
| Molecular Formula | C7H5FN2 |
2-Fluorophenylacetone, 98%
CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F
| PubChem CID | 76086 |
|---|---|
| CAS | 2836-82-0 |
| Molecular Weight (g/mol) | 152.168 |
| MDL Number | MFCD00000325 |
| SMILES | CC(=O)CC1=CC=CC=C1F |
| Synonym | 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # |
| IUPAC Name | 1-(2-fluorophenyl)propan-2-one |
| InChI Key | BANVZEUCJHUPOI-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |