Benzene and substituted derivatives
Filtered Search Results
2-Nitroanisole, 99%
CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 7048 |
|---|---|
| CAS | 91-23-6 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:48722 |
| MDL Number | MFCD00007096 |
| SMILES | COC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene |
| IUPAC Name | 1-methoxy-2-nitrobenzene |
| InChI Key | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Methoxy-4-nitrobenzonitrile, 98%, Thermo Scientific™
CAS: 101084-96-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.15 InChI Key: MLIKCKXLGYEGAO-UHFFFAOYSA-N Synonym: 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile PubChem CID: 291867 IUPAC Name: 2-methoxy-4-nitrobenzonitrile SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
| PubChem CID | 291867 |
|---|---|
| CAS | 101084-96-2 |
| Molecular Weight (g/mol) | 178.15 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])C#N |
| Synonym | 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile |
| IUPAC Name | 2-methoxy-4-nitrobenzonitrile |
| InChI Key | MLIKCKXLGYEGAO-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O3 |
5-Nitrovanillin, 97%
CAS: 6635-20-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007118 InChI Key: ZEHYRTJBFMZHCY-UHFFFAOYSA-N Synonym: 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline PubChem CID: 81134 ChEBI: CHEBI:48385 SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
| PubChem CID | 81134 |
|---|---|
| CAS | 6635-20-7 |
| Molecular Weight (g/mol) | 197.146 |
| ChEBI | CHEBI:48385 |
| MDL Number | MFCD00007118 |
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O |
| Synonym | 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline |
| InChI Key | ZEHYRTJBFMZHCY-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
4,5-Dimethoxy-2-nitrophenylacetic acid, 97%
CAS: 73357-18-3 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00118466 InChI Key: WJPMJFUEMVXUCV-UHFFFAOYSA-N Synonym: 2-4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenylacetic acid,4,5-dimethoxy-2-nitro-phenyl-acetic acid,4,5-dimethoxy-2-nitro-phenylacetic acid,benzeneacetic acid, 4,5-dimethoxy-2-nitro,maybridge1_002500,acmc-1bm2u,cbmicro_008990,cambridge id 5234450 PubChem CID: 270941 IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid SMILES: COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC
| PubChem CID | 270941 |
|---|---|
| CAS | 73357-18-3 |
| Molecular Weight (g/mol) | 241.199 |
| MDL Number | MFCD00118466 |
| SMILES | COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC |
| Synonym | 2-4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenylacetic acid,4,5-dimethoxy-2-nitro-phenyl-acetic acid,4,5-dimethoxy-2-nitro-phenylacetic acid,benzeneacetic acid, 4,5-dimethoxy-2-nitro,maybridge1_002500,acmc-1bm2u,cbmicro_008990,cambridge id 5234450 |
| IUPAC Name | 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid |
| InChI Key | WJPMJFUEMVXUCV-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO6 |
4'-Methoxy-2'-nitroacetanilide, 98+%
CAS: 119-81-3 Molecular Formula: C9H10N2O4 Molecular Weight (g/mol): 210.189 MDL Number: MFCD00017018 InChI Key: QGEGALJODPBPGR-UHFFFAOYSA-N Synonym: n-4-methoxy-2-nitrophenyl acetamide,4'-methoxy-2'-nitroacetanilide,4-methoxy-2-nitroacetanilide,2'-nitro-p-acetanisidide,acetamide, n-4-methoxy-2-nitrophenyl,2-nitro-p-acetanisidide,p-acetanisidide, 2-nitro,4-acetamido-3-nitroanisole,2-nitro-4-methoxyacetanilide,p-acetanisidide, 2'-nitro PubChem CID: 67075 IUPAC Name: N-(4-methoxy-2-nitrophenyl)acetamide SMILES: CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]
| PubChem CID | 67075 |
|---|---|
| CAS | 119-81-3 |
| Molecular Weight (g/mol) | 210.189 |
| MDL Number | MFCD00017018 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-] |
| Synonym | n-4-methoxy-2-nitrophenyl acetamide,4'-methoxy-2'-nitroacetanilide,4-methoxy-2-nitroacetanilide,2'-nitro-p-acetanisidide,acetamide, n-4-methoxy-2-nitrophenyl,2-nitro-p-acetanisidide,p-acetanisidide, 2-nitro,4-acetamido-3-nitroanisole,2-nitro-4-methoxyacetanilide,p-acetanisidide, 2'-nitro |
| IUPAC Name | N-(4-methoxy-2-nitrophenyl)acetamide |
| InChI Key | QGEGALJODPBPGR-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O4 |
| CAS | 3394-05-6 |
|---|---|
| MDL Number | MFCD00022167 |
2-Hydroxy-3-methoxy-5-nitrobenzaldehyde, 98%
CAS: 17028-61-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00017033 InChI Key: HGKHVFKBOHFYSS-UHFFFAOYSA-N PubChem CID: 307886 IUPAC Name: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde SMILES: COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O
| PubChem CID | 307886 |
|---|---|
| CAS | 17028-61-4 |
| Molecular Weight (g/mol) | 197.15 |
| MDL Number | MFCD00017033 |
| SMILES | COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O |
| IUPAC Name | 2-hydroxy-3-methoxy-5-nitrobenzaldehyde |
| InChI Key | HGKHVFKBOHFYSS-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
2-Fluoro-5-nitrobenzaldehyde, 98%
CAS: 27996-87-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00042298 InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N Synonym: fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde PubChem CID: 2734770 IUPAC Name: 2-fluoro-5-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
| PubChem CID | 2734770 |
|---|---|
| CAS | 27996-87-8 |
| Molecular Weight (g/mol) | 169.111 |
| MDL Number | MFCD00042298 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C=O)F |
| Synonym | fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde |
| IUPAC Name | 2-fluoro-5-nitrobenzaldehyde |
| InChI Key | VVXFDFQEIRGULC-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
4-Iodo-2-nitroanisole, 98%
CAS: 52692-09-8 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD08060933 InChI Key: WULXGCDMVLQZBT-UHFFFAOYSA-N Synonym: 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene PubChem CID: 12249866 IUPAC Name: 4-iodo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)I)[N+](=O)[O-]
| PubChem CID | 12249866 |
|---|---|
| CAS | 52692-09-8 |
| Molecular Weight (g/mol) | 279.033 |
| MDL Number | MFCD08060933 |
| SMILES | COC1=C(C=C(C=C1)I)[N+](=O)[O-] |
| Synonym | 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene |
| IUPAC Name | 4-iodo-1-methoxy-2-nitrobenzene |
| InChI Key | WULXGCDMVLQZBT-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO3 |
4-(Methylthio)benzoic acid, 97%
CAS: 13205-48-6 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00002555 InChI Key: KWHCPERWLHBLOT-UHFFFAOYSA-N Synonym: 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa PubChem CID: 83230 IUPAC Name: 4-methylsulfanylbenzoic acid SMILES: CSC1=CC=C(C=C1)C(O)=O
| PubChem CID | 83230 |
|---|---|
| CAS | 13205-48-6 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00002555 |
| SMILES | CSC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa |
| IUPAC Name | 4-methylsulfanylbenzoic acid |
| InChI Key | KWHCPERWLHBLOT-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
Methyl 2-(methylthio)benzoate, 98%
CAS: 3704-28-7 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.237 MDL Number: MFCD00068039 InChI Key: CPQDZXPLQXZJGF-UHFFFAOYSA-N PubChem CID: 279586 IUPAC Name: methyl 2-methylsulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1SC
| PubChem CID | 279586 |
|---|---|
| CAS | 3704-28-7 |
| Molecular Weight (g/mol) | 182.237 |
| MDL Number | MFCD00068039 |
| SMILES | COC(=O)C1=CC=CC=C1SC |
| IUPAC Name | methyl 2-methylsulfanylbenzoate |
| InChI Key | CPQDZXPLQXZJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2S |
Potassium trans-beta-styryltrifluoroborate, 98%
CAS: 201852-49-5 Molecular Formula: C8H7BF3K Molecular Weight (g/mol): 210.05 MDL Number: MFCD02093981 InChI Key: NONAUTDEFRJJII-UHFFFAOYSA-N Synonym: potassium trans-styryltrifluoroborate,potassium beta-styryltrifluoroborate,beta-styryltrifluoroboric acid potassium salt,pubchem11312,potassiostyryltrifluoroboron v,potassium-styryltrifluoroborate,potassium a-styryltrifluoroborate,potassium b-styryltrifluoroborate,potassium e-styryltrifluoroborate,potassium 2-phenylethenyltrifluoroborate PubChem CID: 23664278 IUPAC Name: potassium;trifluoro-[(E)-2-phenylethenyl]boranuide SMILES: [K+].F[B-](F)(F)C=CC1=CC=CC=C1
| PubChem CID | 23664278 |
|---|---|
| CAS | 201852-49-5 |
| Molecular Weight (g/mol) | 210.05 |
| MDL Number | MFCD02093981 |
| SMILES | [K+].F[B-](F)(F)C=CC1=CC=CC=C1 |
| Synonym | potassium trans-styryltrifluoroborate,potassium beta-styryltrifluoroborate,beta-styryltrifluoroboric acid potassium salt,pubchem11312,potassiostyryltrifluoroboron v,potassium-styryltrifluoroborate,potassium a-styryltrifluoroborate,potassium b-styryltrifluoroborate,potassium e-styryltrifluoroborate,potassium 2-phenylethenyltrifluoroborate |
| IUPAC Name | potassium;trifluoro-[(E)-2-phenylethenyl]boranuide |
| InChI Key | NONAUTDEFRJJII-UHFFFAOYSA-N |
| Molecular Formula | C8H7BF3K |
4-Vinylbenzyl acetate, 95%, stabilized
CAS: 1592-12-7 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD00078265 InChI Key: LEIKPUSDAWATBV-UHFFFAOYSA-N Synonym: 4-vinylbenzyl acetate,4-ethenylphenyl methyl acetate,4-acetoxymethylstyrene,4-vinylbenzylacetate,p-acetoxymethylstyrene,4-vinylphenyl methyl acetate,4-ethenylbenzenemethanol acetate,benzenemethanol,4-ethenyl-, 1-acetate PubChem CID: 2735161 IUPAC Name: (4-ethenylphenyl)methyl acetate SMILES: CC(=O)OCC1=CC=C(C=C)C=C1
| PubChem CID | 2735161 |
|---|---|
| CAS | 1592-12-7 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD00078265 |
| SMILES | CC(=O)OCC1=CC=C(C=C)C=C1 |
| Synonym | 4-vinylbenzyl acetate,4-ethenylphenyl methyl acetate,4-acetoxymethylstyrene,4-vinylbenzylacetate,p-acetoxymethylstyrene,4-vinylphenyl methyl acetate,4-ethenylbenzenemethanol acetate,benzenemethanol,4-ethenyl-, 1-acetate |
| IUPAC Name | (4-ethenylphenyl)methyl acetate |
| InChI Key | LEIKPUSDAWATBV-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
2-(Styrylthio)acetic acid, 97%, Thermo Scientific™
CAS: 13435-97-7 Molecular Formula: C10H10O2S Molecular Weight (g/mol): 194.248 MDL Number: MFCD00068078 InChI Key: IUEVBKDVPSQVLM-VOTSOKGWSA-N Synonym: 2-styrylthio acetic acid,e-2-phenylethenyl sulfanyl acetic acid,2-phenylethenyl sulfanyl acetic acid,acetic acid,2-2-phenylethenyl thio,e-styrylsulfanyl-acetic acid,2-1e-2-phenylvinylthio acetic acid,2-e-2-phenylethenyl sulfanylacetic acid PubChem CID: 5474136 IUPAC Name: 2-[(E)-2-phenylethenyl]sulfanylacetic acid SMILES: C1=CC=C(C=C1)C=CSCC(=O)O
| PubChem CID | 5474136 |
|---|---|
| CAS | 13435-97-7 |
| Molecular Weight (g/mol) | 194.248 |
| MDL Number | MFCD00068078 |
| SMILES | C1=CC=C(C=C1)C=CSCC(=O)O |
| Synonym | 2-styrylthio acetic acid,e-2-phenylethenyl sulfanyl acetic acid,2-phenylethenyl sulfanyl acetic acid,acetic acid,2-2-phenylethenyl thio,e-styrylsulfanyl-acetic acid,2-1e-2-phenylvinylthio acetic acid,2-e-2-phenylethenyl sulfanylacetic acid |
| IUPAC Name | 2-[(E)-2-phenylethenyl]sulfanylacetic acid |
| InChI Key | IUEVBKDVPSQVLM-VOTSOKGWSA-N |
| Molecular Formula | C10H10O2S |
3-Bromostyrene, 97%, stab. with 0.1% 4-tert-butylcatechol
CAS: 2039-86-3 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000088 InChI Key: KQJQPCJDKBKSLV-UHFFFAOYSA-N Synonym: 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # PubChem CID: 74870 IUPAC Name: 1-bromo-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Br
| PubChem CID | 74870 |
|---|---|
| CAS | 2039-86-3 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000088 |
| SMILES | C=CC1=CC(=CC=C1)Br |
| Synonym | 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # |
| IUPAC Name | 1-bromo-3-ethenylbenzene |
| InChI Key | KQJQPCJDKBKSLV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |