Benzene and substituted derivatives
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4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzylamine, 97%, Thermo Scientific™
CAS: 946409-19-4 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD11109325 InChI Key: SBNUQIHHPTZLSV-UHFFFAOYSA-N Synonym: 4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine,4-5-methyl-1,3,4-oxadiazol-2-yl-benzenemethanamine PubChem CID: 33589501 IUPAC Name: [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine SMILES: CC1=NN=C(O1)C2=CC=C(C=C2)CN
| PubChem CID | 33589501 |
|---|---|
| CAS | 946409-19-4 |
| Molecular Weight (g/mol) | 189.218 |
| MDL Number | MFCD11109325 |
| SMILES | CC1=NN=C(O1)C2=CC=C(C=C2)CN |
| Synonym | 4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine,4-5-methyl-1,3,4-oxadiazol-2-yl-benzenemethanamine |
| IUPAC Name | [4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine |
| InChI Key | SBNUQIHHPTZLSV-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O |
[4-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™
CAS: 103573-92-8 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271921 InChI Key: FSLVBXCLXDGFRE-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl PubChem CID: 15594569 IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CN2C=CN=C2)CO
| PubChem CID | 15594569 |
|---|---|
| CAS | 103573-92-8 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD08271921 |
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)CO |
| Synonym | 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl |
| IUPAC Name | [4-(imidazol-1-ylmethyl)phenyl]methanol |
| InChI Key | FSLVBXCLXDGFRE-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |
N-Methyl-3-pyrimidin-2-ylbenzylamine, 97%, Thermo Scientific™
CAS: 886851-49-6 Molecular Formula: C12H13N3 Molecular Weight (g/mol): 199.257 MDL Number: MFCD09702386 InChI Key: AHOVMAYXXRVWIS-UHFFFAOYSA-N Synonym: n-methyl-3-pyrimidin-2-ylbenzylamine,methyl 3-pyrimidin-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-pyrimidinyl,n-methyl-1-3-pyrimidin-2-yl phenyl methanamine,n-3-pyrimidin-2-yl benzyl methylamine,2-3-methylamino methyl phenyl pyrimidine,methyl 3-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-3-2-pyrimidinyl-9ci PubChem CID: 24229568 IUPAC Name: N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC(=C1)C2=NC=CC=N2
| PubChem CID | 24229568 |
|---|---|
| CAS | 886851-49-6 |
| Molecular Weight (g/mol) | 199.257 |
| MDL Number | MFCD09702386 |
| SMILES | CNCC1=CC=CC(=C1)C2=NC=CC=N2 |
| Synonym | n-methyl-3-pyrimidin-2-ylbenzylamine,methyl 3-pyrimidin-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-pyrimidinyl,n-methyl-1-3-pyrimidin-2-yl phenyl methanamine,n-3-pyrimidin-2-yl benzyl methylamine,2-3-methylamino methyl phenyl pyrimidine,methyl 3-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-3-2-pyrimidinyl-9ci |
| IUPAC Name | N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine |
| InChI Key | AHOVMAYXXRVWIS-UHFFFAOYSA-N |
| Molecular Formula | C12H13N3 |
2-(Acetyloxy)-3-methylbenzoic acid, 97%, Thermo Scientific™
CAS: 4386-39-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00085683 InChI Key: XRBMKGUDDJPAMH-UHFFFAOYSA-N Synonym: 2-acetyloxy-3-methylbenzoic acid,2-acetoxy-3-methylbenzoic acid,2-acetoxy-m-toluic acid,unii-2g83e641hz,2-acetoxy-3-methyl-benzoic acid,3-methylacetylsalicylic acid,benzoic acid,2-acetyloxy-3-methyl,3-methyl-2-acetoxybenzoic acid,cresopirine,cresopyrine PubChem CID: 78094 IUPAC Name: 2-acetyloxy-3-methylbenzoic acid SMILES: CC(=O)OC1=C(C)C=CC=C1C(O)=O
| PubChem CID | 78094 |
|---|---|
| CAS | 4386-39-4 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00085683 |
| SMILES | CC(=O)OC1=C(C)C=CC=C1C(O)=O |
| Synonym | 2-acetyloxy-3-methylbenzoic acid,2-acetoxy-3-methylbenzoic acid,2-acetoxy-m-toluic acid,unii-2g83e641hz,2-acetoxy-3-methyl-benzoic acid,3-methylacetylsalicylic acid,benzoic acid,2-acetyloxy-3-methyl,3-methyl-2-acetoxybenzoic acid,cresopirine,cresopyrine |
| IUPAC Name | 2-acetyloxy-3-methylbenzoic acid |
| InChI Key | XRBMKGUDDJPAMH-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
2,6-Dichlorophenylhydrazine hydrochloride, 97%, Thermo Scientific™
CAS: 50709-36-9 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 InChI Key: CQNIYLLTIOPFCJ-UHFFFAOYSA-N Synonym: 2,6-dichlorophenylhydrazine hydrochloride,2,6-dichlorophenyl hydrazine hydrochloride,1-2,6-dichlorophenyl hydrazine hydrochloride,2,6-dichlorophenyl hydrazine monohydrochloride,hydrazine, 2,6-dichlorophenyl-, monohydrochloride,2,6-dichlorophenylhydrazinehydrochloride,acmc-209kpe,ksc491e8j,2,6-dichlorophenylhydrazine, chloride,2,6-dichlorophenylhydrazine hcl PubChem CID: 2723909 IUPAC Name: (2,6-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=C(C(=C1)Cl)NN)Cl.Cl
| PubChem CID | 2723909 |
|---|---|
| CAS | 50709-36-9 |
| Molecular Weight (g/mol) | 213.486 |
| SMILES | C1=CC(=C(C(=C1)Cl)NN)Cl.Cl |
| Synonym | 2,6-dichlorophenylhydrazine hydrochloride,2,6-dichlorophenyl hydrazine hydrochloride,1-2,6-dichlorophenyl hydrazine hydrochloride,2,6-dichlorophenyl hydrazine monohydrochloride,hydrazine, 2,6-dichlorophenyl-, monohydrochloride,2,6-dichlorophenylhydrazinehydrochloride,acmc-209kpe,ksc491e8j,2,6-dichlorophenylhydrazine, chloride,2,6-dichlorophenylhydrazine hcl |
| IUPAC Name | (2,6-dichlorophenyl)hydrazine;hydrochloride |
| InChI Key | CQNIYLLTIOPFCJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl3N2 |
4-Chloro-O-tolylhydrazine hydrochloride, 97%, Thermo Scientific™
CAS: 19690-59-6 Molecular Formula: C7H10Cl2N2 Molecular Weight (g/mol): 193.071 MDL Number: MFCD00012944 InChI Key: VBVZXWFQHFXJJK-UHFFFAOYSA-N Synonym: 4-chloro-2-methylphenyl hydrazine hydrochloride,1-4-chloro-2-methylphenyl hydrazine hydrochloride,4-chloro-2-tolylhydrazine hydrochloride,4-chloro-2-methylphenylhydrazine, chloride,4-chloro-2-tolylhydrazine hcl,5-chloro-2-hydrazinotoluene hydrochloride,hydrazine, 4-chloro-2-methylphenyl-, hydrochloride 1:1 PubChem CID: 3084321 IUPAC Name: (4-chloro-2-methylphenyl)hydrazine;hydrochloride SMILES: CC1=C(C=CC(=C1)Cl)NN.Cl
| PubChem CID | 3084321 |
|---|---|
| CAS | 19690-59-6 |
| Molecular Weight (g/mol) | 193.071 |
| MDL Number | MFCD00012944 |
| SMILES | CC1=C(C=CC(=C1)Cl)NN.Cl |
| Synonym | 4-chloro-2-methylphenyl hydrazine hydrochloride,1-4-chloro-2-methylphenyl hydrazine hydrochloride,4-chloro-2-tolylhydrazine hydrochloride,4-chloro-2-methylphenylhydrazine, chloride,4-chloro-2-tolylhydrazine hcl,5-chloro-2-hydrazinotoluene hydrochloride,hydrazine, 4-chloro-2-methylphenyl-, hydrochloride 1:1 |
| IUPAC Name | (4-chloro-2-methylphenyl)hydrazine;hydrochloride |
| InChI Key | VBVZXWFQHFXJJK-UHFFFAOYSA-N |
| Molecular Formula | C7H10Cl2N2 |
4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl chloride, Technical Grade, Thermo Scientific™
CAS: 165669-32-9 Molecular Formula: C10H12ClNO4S2 Molecular Weight (g/mol): 309.779 InChI Key: ZXYZKIFFWKXROK-UHFFFAOYSA-N Synonym: 4-pyrrolidine-1-sulfonyl-benzenesulfonyl chloride,4-pyrrolidine-1-sulfonyl benzene-1-sulfonyl chloride,4-pyrrolidin-1-ylsulfonyl benzenesulfonyl chloride,4-pyrrolidine-1-sulfonyl benzenesulfonyl chloride,benzenesulfonylchloride, 4-1-pyrrolidinylsulfonyl,4-pyrrolidin-1-ylsulphonyl benzenesulphonyl chloride,4-pyrrolidine-1-sulfonyl phenylsulfonyl chloride,benzenesulfonyl chloride, 4-1-pyrrolidinylsulfonyl,4-pyrrolidin-1-ylsulfonyl benzene-1-sulfonyl chloride PubChem CID: 2779793 IUPAC Name: 4-pyrrolidin-1-ylsulfonylbenzenesulfonyl chloride SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
| PubChem CID | 2779793 |
|---|---|
| CAS | 165669-32-9 |
| Molecular Weight (g/mol) | 309.779 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl |
| Synonym | 4-pyrrolidine-1-sulfonyl-benzenesulfonyl chloride,4-pyrrolidine-1-sulfonyl benzene-1-sulfonyl chloride,4-pyrrolidin-1-ylsulfonyl benzenesulfonyl chloride,4-pyrrolidine-1-sulfonyl benzenesulfonyl chloride,benzenesulfonylchloride, 4-1-pyrrolidinylsulfonyl,4-pyrrolidin-1-ylsulphonyl benzenesulphonyl chloride,4-pyrrolidine-1-sulfonyl phenylsulfonyl chloride,benzenesulfonyl chloride, 4-1-pyrrolidinylsulfonyl,4-pyrrolidin-1-ylsulfonyl benzene-1-sulfonyl chloride |
| IUPAC Name | 4-pyrrolidin-1-ylsulfonylbenzenesulfonyl chloride |
| InChI Key | ZXYZKIFFWKXROK-UHFFFAOYSA-N |
| Molecular Formula | C10H12ClNO4S2 |
N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide, Thermo Scientific™
CAS: 22179-86-8 Molecular Formula: C8H7F3N2O Molecular Weight (g/mol): 204.152 InChI Key: QCVFLUSIBKAKPC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzamidoxime,n-hydroxy-4-trifluoromethyl-benzamidine,n'-hydroxy-4-trifluoromethyl benzenecarboximidamide,n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzene-1-carboximidamide,4-trifluoromethylbenzamidoxime,hydroxyimino 4-trifluoromethyl phenyl methylamine,4-trifluoromethylbenzamideoxime,benzenecarboximidamide,n-hydroxy-4-trifluoromethyl PubChem CID: 9581576 IUPAC Name: N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide SMILES: C1=CC(=CC=C1C(=NO)N)C(F)(F)F
| PubChem CID | 9581576 |
|---|---|
| CAS | 22179-86-8 |
| Molecular Weight (g/mol) | 204.152 |
| SMILES | C1=CC(=CC=C1C(=NO)N)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzamidoxime,n-hydroxy-4-trifluoromethyl-benzamidine,n'-hydroxy-4-trifluoromethyl benzenecarboximidamide,n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzimidamide,z-n'-hydroxy-4-trifluoromethyl benzene-1-carboximidamide,4-trifluoromethylbenzamidoxime,hydroxyimino 4-trifluoromethyl phenyl methylamine,4-trifluoromethylbenzamideoxime,benzenecarboximidamide,n-hydroxy-4-trifluoromethyl |
| IUPAC Name | N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide |
| InChI Key | QCVFLUSIBKAKPC-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3N2O |
2-[3-(Bromomethyl)phenyl]thiophene, ≥97%, Thermo Scientific™
CAS: 85553-44-2 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD08435867 InChI Key: JQQDEBDYUAKNGD-UHFFFAOYSA-N Synonym: 2-3-bromomethyl phenyl thiophene,3-2-thienyl benzyl bromide,2-3-bromomethyl phenyl-thiophene PubChem CID: 13150400 IUPAC Name: 2-[3-(bromomethyl)phenyl]thiophene SMILES: C1=CC(=CC(=C1)CBr)C2=CC=CS2
| PubChem CID | 13150400 |
|---|---|
| CAS | 85553-44-2 |
| Molecular Weight (g/mol) | 253.157 |
| MDL Number | MFCD08435867 |
| SMILES | C1=CC(=CC(=C1)CBr)C2=CC=CS2 |
| Synonym | 2-3-bromomethyl phenyl thiophene,3-2-thienyl benzyl bromide,2-3-bromomethyl phenyl-thiophene |
| IUPAC Name | 2-[3-(bromomethyl)phenyl]thiophene |
| InChI Key | JQQDEBDYUAKNGD-UHFFFAOYSA-N |
| Molecular Formula | C11H9BrS |
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid, 97%, Thermo Scientific™
CAS: 54557-81-2 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00168683 InChI Key: LMDXEMFSAHAGGP-UHFFFAOYSA-N Synonym: 4-2,3-dihydro-1,4-benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydro-benzo 1,4 dioxin-6-yl-4-oxo-butyric acid,4-2,3-dihydrobenzo b 1,4 dioxin-6-yl-4-oxobutanoic acid,4-3,4-ethylenedioxy phenyl-4-oxobutyric acid,4-2,3-dihydro-1,4,benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydrobenzo b 1,4 dioxin-7-yl-4-oxobutanoic acid,4-oxo-4-2,3-dihydro-1,4-benzodioxin-6-yl butyric acid,4-2h,3h-benzo 3,4-e 1,4-dioxin-6-yl-4-oxobutanoic acid,maybridge1_001974,regid_for_cid_2758835 PubChem CID: 2758835 IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O
| PubChem CID | 2758835 |
|---|---|
| CAS | 54557-81-2 |
| Molecular Weight (g/mol) | 236.223 |
| MDL Number | MFCD00168683 |
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O |
| Synonym | 4-2,3-dihydro-1,4-benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydro-benzo 1,4 dioxin-6-yl-4-oxo-butyric acid,4-2,3-dihydrobenzo b 1,4 dioxin-6-yl-4-oxobutanoic acid,4-3,4-ethylenedioxy phenyl-4-oxobutyric acid,4-2,3-dihydro-1,4,benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydrobenzo b 1,4 dioxin-7-yl-4-oxobutanoic acid,4-oxo-4-2,3-dihydro-1,4-benzodioxin-6-yl butyric acid,4-2h,3h-benzo 3,4-e 1,4-dioxin-6-yl-4-oxobutanoic acid,maybridge1_001974,regid_for_cid_2758835 |
| IUPAC Name | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid |
| InChI Key | LMDXEMFSAHAGGP-UHFFFAOYSA-N |
| Molecular Formula | C12H12O5 |
(4-Benzyl-1,4-oxazinan-2-yl)methanol, Thermo Scientific™
CAS: 40987-24-4 Molecular Formula: C12H18NO2 Molecular Weight (g/mol): 208.28 MDL Number: MFCD02682009,MFCD10698663,MFCD11848685 InChI Key: WQNIKIMRIXHNFF-GFCCVEGCSA-O Synonym: 4-benzylmorpholin-2-yl methanol,4-benzyl-1,4-oxazinan-2-yl methanol,4-benzyl-2-hydroxymethyl morpholine,2-hydroxymethyl-4-benzylmorpholine,2-morpholinemethanol, 4-phenylmethyl,4-benzyl-morpholin-2-yl-methanol,4-phenylmethyl-2-morpholinyl methanol,4-phenylmethyl morpholin-2-yl methanol,2-morpholinemethanol,4-phenylmethyl-, 2s,acmc-20a6qw PubChem CID: 2776358 SMILES: OC[C@H]1C[NH+](CC2=CC=CC=C2)CCO1
| PubChem CID | 2776358 |
|---|---|
| CAS | 40987-24-4 |
| Molecular Weight (g/mol) | 208.28 |
| MDL Number | MFCD02682009,MFCD10698663,MFCD11848685 |
| SMILES | OC[C@H]1C[NH+](CC2=CC=CC=C2)CCO1 |
| Synonym | 4-benzylmorpholin-2-yl methanol,4-benzyl-1,4-oxazinan-2-yl methanol,4-benzyl-2-hydroxymethyl morpholine,2-hydroxymethyl-4-benzylmorpholine,2-morpholinemethanol, 4-phenylmethyl,4-benzyl-morpholin-2-yl-methanol,4-phenylmethyl-2-morpholinyl methanol,4-phenylmethyl morpholin-2-yl methanol,2-morpholinemethanol,4-phenylmethyl-, 2s,acmc-20a6qw |
| InChI Key | WQNIKIMRIXHNFF-GFCCVEGCSA-O |
| Molecular Formula | C12H18NO2 |