Benzene and substituted derivatives
Filtered Search Results
4-Methyl-2-(trifluoromethyl)benzoic acid, 98%
CAS: 120985-64-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD01631591 InChI Key: PHJOGJTZXVBKJO-UHFFFAOYSA-N Synonym: 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid PubChem CID: 2775591 IUPAC Name: 4-methyl-2-(trifluoromethyl)benzoic acid SMILES: CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
| PubChem CID | 2775591 |
|---|---|
| CAS | 120985-64-0 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD01631591 |
| SMILES | CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F |
| Synonym | 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid |
| IUPAC Name | 4-methyl-2-(trifluoromethyl)benzoic acid |
| InChI Key | PHJOGJTZXVBKJO-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
5-Bromo-2-[3-(chloromethyl)phenyl]pyrimidine, 97%, Thermo Scientific™
CAS: 1100598-50-2 Molecular Formula: C11H8BrClN2 Molecular Weight (g/mol): 283.553 MDL Number: MFCD20527211 InChI Key: KHSZEUJOVUJWKR-UHFFFAOYSA-N Synonym: 5-bromo-2-3-chloromethyl phenyl pyrimidine,5-bromo-2-3-chloromethylphenyl pyrimidine,5-bromo-2-3-chloromethyl-phenyl-pyrimidine,pyrimidine, 5-bromo-2-3-chloromethyl phenyl PubChem CID: 59438047 IUPAC Name: 5-bromo-2-[3-(chloromethyl)phenyl]pyrimidine SMILES: C1=CC(=CC(=C1)CCl)C2=NC=C(C=N2)Br
| PubChem CID | 59438047 |
|---|---|
| CAS | 1100598-50-2 |
| Molecular Weight (g/mol) | 283.553 |
| MDL Number | MFCD20527211 |
| SMILES | C1=CC(=CC(=C1)CCl)C2=NC=C(C=N2)Br |
| Synonym | 5-bromo-2-3-chloromethyl phenyl pyrimidine,5-bromo-2-3-chloromethylphenyl pyrimidine,5-bromo-2-3-chloromethyl-phenyl-pyrimidine,pyrimidine, 5-bromo-2-3-chloromethyl phenyl |
| IUPAC Name | 5-bromo-2-[3-(chloromethyl)phenyl]pyrimidine |
| InChI Key | KHSZEUJOVUJWKR-UHFFFAOYSA-N |
| Molecular Formula | C11H8BrClN2 |
3,4,5-Trimethoxyaniline, 97%
CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N
| PubChem CID | 32285 |
|---|---|
| CAS | 24313-88-0 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00008393 |
| SMILES | COC1=CC(=CC(=C1OC)OC)N |
| Synonym | benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline |
| IUPAC Name | 3,4,5-trimethoxyaniline |
| InChI Key | XEFRNCLPPFDWAC-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO3 |
2-chlorobenzyl bromide, 97%
CAS: 611-17-6 Molecular Formula: C7H7BrCl Molecular Weight (g/mol): 205.49 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl
| PubChem CID | 11905 |
|---|---|
| CAS | 611-17-6 |
| Molecular Weight (g/mol) | 205.49 |
| MDL Number | MFCD00000566 |
| SMILES | C1=CC=C(C(=C1)CBr)Cl |
| Synonym | 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 |
| IUPAC Name | 1-(bromomethyl)-2-chlorobenzene |
| InChI Key | PURSZYWBIQIANP-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrCl |
2-Phenylmalonamide, 97%
CAS: 10255-95-5 Molecular Formula: C9H10N2O2 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00051776 InChI Key: CPSUAFUQJBJMPO-UHFFFAOYSA-N Synonym: 2-phenylmalonamide,propanediamide, 2-phenyl,phenylmethane-1,1-dicarboxamide,phenylmalonamide,2-phenyl-malonamide,2-phenylmalondiamide,acmc-20anni,maybridge1_000163,ksc492s5h PubChem CID: 2747536 IUPAC Name: 2-phenylpropanediamide SMILES: NC(=O)C(C(N)=O)C1=CC=CC=C1
| PubChem CID | 2747536 |
|---|---|
| CAS | 10255-95-5 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00051776 |
| SMILES | NC(=O)C(C(N)=O)C1=CC=CC=C1 |
| Synonym | 2-phenylmalonamide,propanediamide, 2-phenyl,phenylmethane-1,1-dicarboxamide,phenylmalonamide,2-phenyl-malonamide,2-phenylmalondiamide,acmc-20anni,maybridge1_000163,ksc492s5h |
| IUPAC Name | 2-phenylpropanediamide |
| InChI Key | CPSUAFUQJBJMPO-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O2 |
Methyl 3-methyl-4-nitrobenzoate, 97%
CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 260927 |
|---|---|
| CAS | 24078-21-5 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00085640 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d |
| IUPAC Name | methyl 3-methyl-4-nitrobenzoate |
| InChI Key | IEFONJKJLZFGKQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
N-(Diphenylmethylene)glycine tert-butyl ester, 98%
CAS: 81477-94-3 Molecular Formula: C19H21NO2 Molecular Weight (g/mol): 295.38 MDL Number: MFCD00134280 InChI Key: YSHDPXQDVKNPKA-UHFFFAOYSA-N Synonym: n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester PubChem CID: 688171 IUPAC Name: tert-butyl 2-(benzhydrylideneamino)acetate SMILES: CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 688171 |
|---|---|
| CAS | 81477-94-3 |
| Molecular Weight (g/mol) | 295.38 |
| MDL Number | MFCD00134280 |
| SMILES | CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-(benzhydrylideneamino)acetate |
| InChI Key | YSHDPXQDVKNPKA-UHFFFAOYSA-N |
| Molecular Formula | C19H21NO2 |
2,6-Difluorobenzeneboronic acid, 98%
CAS: 162101-25-9 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD00792436 InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N Synonym: 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt PubChem CID: 2734336 IUPAC Name: (2,6-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC=C1F)F)(O)O
| PubChem CID | 2734336 |
|---|---|
| CAS | 162101-25-9 |
| Molecular Weight (g/mol) | 157.911 |
| MDL Number | MFCD00792436 |
| SMILES | B(C1=C(C=CC=C1F)F)(O)O |
| Synonym | 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt |
| IUPAC Name | (2,6-difluorophenyl)boronic acid |
| InChI Key | DBZAICSEFBVFHL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
4-Iodoaniline, 99%
CAS: 540-37-4 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.02 InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N Synonym: p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine PubChem CID: 10893 IUPAC Name: 4-iodoaniline SMILES: C1=CC(=CC=C1N)I
| PubChem CID | 10893 |
|---|---|
| CAS | 540-37-4 |
| Molecular Weight (g/mol) | 219.02 |
| SMILES | C1=CC(=CC=C1N)I |
| Synonym | p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine |
| IUPAC Name | 4-iodoaniline |
| InChI Key | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| Molecular Formula | C6H6IN |
(2-Hydroxyethyl)triphenylphosphonium bromide, 98+%
CAS: 7237-34-5 Molecular Formula: C20H20BrOP Molecular Weight (g/mol): 387.26 MDL Number: MFCD00011901 InChI Key: QZJOQNHOOVSESC-UHFFFAOYSA-M Synonym: 2-hydroxyethyl triphenylphosphonium bromide,2-hydroxyethyl triphenylphosphanium bromide,acmc-20appe,2-hydroxyethyltriphenylphosphonium bromide,2-hydroxyethyl triphenyphosphonium bromide,2-hydroxyethyl triphenyl phosphanium bromide,2-hydroxy ethyl triphenylphosphonium bromide,phosphonium, 2-hydroxyethyl triphenyl-,bromide 1:1,phosphonium, 2-hydroxyethyl triphenyl-, bromide 1:1 PubChem CID: 2733550 IUPAC Name: 2-hydroxyethyl(triphenyl)phosphanium;bromide SMILES: [Br-].OCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2733550 |
|---|---|
| CAS | 7237-34-5 |
| Molecular Weight (g/mol) | 387.26 |
| MDL Number | MFCD00011901 |
| SMILES | [Br-].OCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-hydroxyethyl triphenylphosphonium bromide,2-hydroxyethyl triphenylphosphanium bromide,acmc-20appe,2-hydroxyethyltriphenylphosphonium bromide,2-hydroxyethyl triphenyphosphonium bromide,2-hydroxyethyl triphenyl phosphanium bromide,2-hydroxy ethyl triphenylphosphonium bromide,phosphonium, 2-hydroxyethyl triphenyl-,bromide 1:1,phosphonium, 2-hydroxyethyl triphenyl-, bromide 1:1 |
| IUPAC Name | 2-hydroxyethyl(triphenyl)phosphanium;bromide |
| InChI Key | QZJOQNHOOVSESC-UHFFFAOYSA-M |
| Molecular Formula | C20H20BrOP |
2,4,6-Trimethoxybenzonitrile, 98%
CAS: 2571-54-2 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00001787 InChI Key: GBRHJUMDNWLSCT-UHFFFAOYSA-N PubChem CID: 75731 IUPAC Name: 2,4,6-trimethoxybenzonitrile SMILES: COC1=CC(=C(C(=C1)OC)C#N)OC
| PubChem CID | 75731 |
|---|---|
| CAS | 2571-54-2 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00001787 |
| SMILES | COC1=CC(=C(C(=C1)OC)C#N)OC |
| IUPAC Name | 2,4,6-trimethoxybenzonitrile |
| InChI Key | GBRHJUMDNWLSCT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
2-Chloro-4-nitrobenzamide, 98%
CAS: 3011-89-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017119 InChI Key: GFGSZUNNBQXGMK-UHFFFAOYSA-N Synonym: aklomide,aklomix,clomide,alkomide,benzamide, 2-chloro-4-nitro,component of aklomix,component of novastat-w,unii-b0e341ra20,2-chloro-4-nitro benzamide,dsstox_cid_21405 PubChem CID: 2075 IUPAC Name: 2-chloro-4-nitrobenzamide SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N
| PubChem CID | 2075 |
|---|---|
| CAS | 3011-89-0 |
| Molecular Weight (g/mol) | 200.578 |
| MDL Number | MFCD00017119 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N |
| Synonym | aklomide,aklomix,clomide,alkomide,benzamide, 2-chloro-4-nitro,component of aklomix,component of novastat-w,unii-b0e341ra20,2-chloro-4-nitro benzamide,dsstox_cid_21405 |
| IUPAC Name | 2-chloro-4-nitrobenzamide |
| InChI Key | GFGSZUNNBQXGMK-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClN2O3 |
| CAS | 3586-12-7 |
|---|---|
| MDL Number | MFCD00041891 |
3,4-Dimethylbenzaldehyde, 97%
CAS: 5973-71-7 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00016612 InChI Key: POQJHLBMLVTHAU-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde PubChem CID: 22278 IUPAC Name: 3,4-dimethylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)C
| PubChem CID | 22278 |
|---|---|
| CAS | 5973-71-7 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00016612 |
| SMILES | CC1=C(C=C(C=C1)C=O)C |
| Synonym | benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde |
| IUPAC Name | 3,4-dimethylbenzaldehyde |
| InChI Key | POQJHLBMLVTHAU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
1-(2-Phenoxyphenyl)methanamine hydrochloride, ≥97%, Thermo Scientific™
CAS: 31963-35-6 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 MDL Number: MFCD08271962 InChI Key: USRYZTSPSJXQFU-UHFFFAOYSA-N Synonym: 1-2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hydrochloride,2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hcl,2-phenoxy-benzylamine hydrochloride,2-phenoxyphenyl methylamine, chloride,1-2-phenoxyphenyl methanaminehydrochloride,2-aminomethyl diphenyl ether hydrochloride,1-2-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 17749840 IUPAC Name: (2-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl
| PubChem CID | 17749840 |
|---|---|
| CAS | 31963-35-6 |
| Molecular Weight (g/mol) | 235.711 |
| MDL Number | MFCD08271962 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl |
| Synonym | 1-2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hydrochloride,2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hcl,2-phenoxy-benzylamine hydrochloride,2-phenoxyphenyl methylamine, chloride,1-2-phenoxyphenyl methanaminehydrochloride,2-aminomethyl diphenyl ether hydrochloride,1-2-phenoxyphenyl methanamine-hydrogen chloride 1/1 |
| IUPAC Name | (2-phenoxyphenyl)methanamine;hydrochloride |
| InChI Key | USRYZTSPSJXQFU-UHFFFAOYSA-N |
| Molecular Formula | C13H14ClNO |