Organoheterocyclic compounds
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3,5-Dimethylisoxazol-4-yl isocyanate, 95%, Thermo Scientific™
CAS: 131825-41-7 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00119910 InChI Key: JJQYAGYVYNMYGE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole PubChem CID: 2736266 IUPAC Name: 4-isocyanato-3,5-dimethyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C)N=C=O
| PubChem CID | 2736266 |
|---|---|
| CAS | 131825-41-7 |
| Molecular Weight (g/mol) | 138.126 |
| MDL Number | MFCD00119910 |
| SMILES | CC1=C(C(=NO1)C)N=C=O |
| Synonym | 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole |
| IUPAC Name | 4-isocyanato-3,5-dimethyl-1,2-oxazole |
| InChI Key | JJQYAGYVYNMYGE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
2,3-Diphenylmaleic anhydride, 98%
CAS: 4808-48-4 Molecular Formula: C16H10O3 Molecular Weight (g/mol): 250.253 MDL Number: MFCD00005521 InChI Key: OUJCFCNZIUTYBH-UHFFFAOYSA-N Synonym: 2,3-diphenylmaleic anhydride,diphenylmaleic anhydride,3,4-diphenyl-2,5-furandione,diphenylfuran-2,5-dione,2,3-diphenylmaleicanhydride,2,5-furandione, 3,4-diphenyl,acmc-1asck,2, 3,4-diphenyl,diphenyl-maleic anhydride,2,5-furandione,3,4-diphenyl PubChem CID: 78530 IUPAC Name: 3,4-diphenylfuran-2,5-dione SMILES: C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3
| PubChem CID | 78530 |
|---|---|
| CAS | 4808-48-4 |
| Molecular Weight (g/mol) | 250.253 |
| MDL Number | MFCD00005521 |
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)OC2=O)C3=CC=CC=C3 |
| Synonym | 2,3-diphenylmaleic anhydride,diphenylmaleic anhydride,3,4-diphenyl-2,5-furandione,diphenylfuran-2,5-dione,2,3-diphenylmaleicanhydride,2,5-furandione, 3,4-diphenyl,acmc-1asck,2, 3,4-diphenyl,diphenyl-maleic anhydride,2,5-furandione,3,4-diphenyl |
| IUPAC Name | 3,4-diphenylfuran-2,5-dione |
| InChI Key | OUJCFCNZIUTYBH-UHFFFAOYSA-N |
| Molecular Formula | C16H10O3 |
1,2-Epoxy-3,3,3-trifluoropropane, 98%
CAS: 359-41-1 Molecular Formula: C3H3F3O Molecular Weight (g/mol): 112.051 MDL Number: MFCD00041506 InChI Key: AQZRARFZZMGLHL-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,3-epoxypropane,2-trifluoromethyl oxirane,3,3,3-trifluoro-1,2-epoxypropane,1,2-epoxy-3,3,3-trifluoropropane,oxirane, trifluoromethyl,3,3,3-trifluoropropane epoxide,pubchem20840,trifluoromethyl oxirane,acmc-20apk3 PubChem CID: 520769 IUPAC Name: 2-(trifluoromethyl)oxirane SMILES: C1C(O1)C(F)(F)F
| PubChem CID | 520769 |
|---|---|
| CAS | 359-41-1 |
| Molecular Weight (g/mol) | 112.051 |
| MDL Number | MFCD00041506 |
| SMILES | C1C(O1)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-2,3-epoxypropane,2-trifluoromethyl oxirane,3,3,3-trifluoro-1,2-epoxypropane,1,2-epoxy-3,3,3-trifluoropropane,oxirane, trifluoromethyl,3,3,3-trifluoropropane epoxide,pubchem20840,trifluoromethyl oxirane,acmc-20apk3 |
| IUPAC Name | 2-(trifluoromethyl)oxirane |
| InChI Key | AQZRARFZZMGLHL-UHFFFAOYSA-N |
| Molecular Formula | C3H3F3O |
3,4-Methylenedioxynitrobenzene, Spectrum™ Chemical
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CAS: 2620-44-2
| CAS | 2620-44-2 |
|---|
5-Bromopyrazine-2-carboxylic acid, 95%
CAS: 876161-05-6 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD09909672 InChI Key: NPJHCKULJAIWGV-UHFFFAOYSA-N PubChem CID: 18779790 IUPAC Name: 5-bromopyrazine-2-carboxylic acid SMILES: OC(=O)C1=CN=C(Br)C=N1
| PubChem CID | 18779790 |
|---|---|
| CAS | 876161-05-6 |
| Molecular Weight (g/mol) | 203.00 |
| MDL Number | MFCD09909672 |
| SMILES | OC(=O)C1=CN=C(Br)C=N1 |
| IUPAC Name | 5-bromopyrazine-2-carboxylic acid |
| InChI Key | NPJHCKULJAIWGV-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O2 |
tert-butyl 4-[4-(aminomethyl)benzyloxy]piperidine-1-carboxylate, 90%, Thermo Scientific™
CAS: 946409-35-4 Molecular Formula: C18H28N2O3 Molecular Weight (g/mol): 320.433 MDL Number: MFCD12198114 InChI Key: NZWAUTDCSSMVGG-UHFFFAOYSA-N Synonym: tert-butyl 4-4-aminomethyl benzyloxy piperidine-1-carboxylate,tert-butyl 4-4-aminomethyl phenyl methoxy piperidine-1-carboxylate PubChem CID: 43811047 IUPAC Name: tert-butyl 4-[[4-(aminomethyl)phenyl]methoxy]piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)CN
| PubChem CID | 43811047 |
|---|---|
| CAS | 946409-35-4 |
| Molecular Weight (g/mol) | 320.433 |
| MDL Number | MFCD12198114 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=C(C=C2)CN |
| Synonym | tert-butyl 4-4-aminomethyl benzyloxy piperidine-1-carboxylate,tert-butyl 4-4-aminomethyl phenyl methoxy piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[[4-(aminomethyl)phenyl]methoxy]piperidine-1-carboxylate |
| InChI Key | NZWAUTDCSSMVGG-UHFFFAOYSA-N |
| Molecular Formula | C18H28N2O3 |
2-Phenylthiophene, 95%
CAS: 825-55-8 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.234 MDL Number: MFCD00130080 InChI Key: PJRGDKFLFAYRBV-UHFFFAOYSA-N Synonym: thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe PubChem CID: 69999 IUPAC Name: 2-phenylthiophene SMILES: C1=CC=C(C=C1)C2=CC=CS2
| PubChem CID | 69999 |
|---|---|
| CAS | 825-55-8 |
| Molecular Weight (g/mol) | 160.234 |
| MDL Number | MFCD00130080 |
| SMILES | C1=CC=C(C=C1)C2=CC=CS2 |
| Synonym | thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe |
| IUPAC Name | 2-phenylthiophene |
| InChI Key | PJRGDKFLFAYRBV-UHFFFAOYSA-N |
| Molecular Formula | C10H8S |
2,3,5-Trichloropyridine, 98%
CAS: 16063-70-0 Molecular Formula: C5H2Cl3N Molecular Weight (g/mol): 182.428 MDL Number: MFCD00043007 InChI Key: CNLIIAKAAMFCJG-UHFFFAOYSA-N Synonym: pyridine, 2,3,5-trichloro,2,3,5-trichloro pyridine,2,3,5-trichloro-pyridine,pubchem1127,g00013-watson-int,acmc-1at5w,2,3,6-trichloro-pyridine,2, 3, 5-trichloropyridine,ksc179q6d,tpc-i005 PubChem CID: 27666 IUPAC Name: 2,3,5-trichloropyridine SMILES: C1=C(C=NC(=C1Cl)Cl)Cl
| PubChem CID | 27666 |
|---|---|
| CAS | 16063-70-0 |
| Molecular Weight (g/mol) | 182.428 |
| MDL Number | MFCD00043007 |
| SMILES | C1=C(C=NC(=C1Cl)Cl)Cl |
| Synonym | pyridine, 2,3,5-trichloro,2,3,5-trichloro pyridine,2,3,5-trichloro-pyridine,pubchem1127,g00013-watson-int,acmc-1at5w,2,3,6-trichloro-pyridine,2, 3, 5-trichloropyridine,ksc179q6d,tpc-i005 |
| IUPAC Name | 2,3,5-trichloropyridine |
| InChI Key | CNLIIAKAAMFCJG-UHFFFAOYSA-N |
| Molecular Formula | C5H2Cl3N |
4,6-Dimethyldibenzothiophene, 95%
CAS: 1207-12-1 Molecular Formula: C14H12S Molecular Weight (g/mol): 212.31 MDL Number: MFCD00216264 InChI Key: KMPJENUWHPZRGZ-UHFFFAOYSA-N Synonym: dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene PubChem CID: 1268103 IUPAC Name: 4,6-dimethyldibenzothiophene SMILES: CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1
| PubChem CID | 1268103 |
|---|---|
| CAS | 1207-12-1 |
| Molecular Weight (g/mol) | 212.31 |
| MDL Number | MFCD00216264 |
| SMILES | CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1 |
| Synonym | dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene |
| IUPAC Name | 4,6-dimethyldibenzothiophene |
| InChI Key | KMPJENUWHPZRGZ-UHFFFAOYSA-N |
| Molecular Formula | C14H12S |
1-Methylbenzimidazole, 97%
CAS: 1632-83-3 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00192275 InChI Key: FGYADSCZTQOAFK-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole PubChem CID: 95890 IUPAC Name: 1-methylbenzimidazole SMILES: CN1C=NC2=CC=CC=C12
| PubChem CID | 95890 |
|---|---|
| CAS | 1632-83-3 |
| Molecular Weight (g/mol) | 132.17 |
| MDL Number | MFCD00192275 |
| SMILES | CN1C=NC2=CC=CC=C12 |
| Synonym | 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole |
| IUPAC Name | 1-methylbenzimidazole |
| InChI Key | FGYADSCZTQOAFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
4-Pyrimidin-2-ylaniline, 95%, Thermo Scientific™
CAS: 69491-57-2 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD09817490 InChI Key: RUVNVJCKWOOLOH-UHFFFAOYSA-N PubChem CID: 12456170 IUPAC Name: 4-pyrimidin-2-ylaniline SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)N
| PubChem CID | 12456170 |
|---|---|
| CAS | 69491-57-2 |
| Molecular Weight (g/mol) | 171.203 |
| MDL Number | MFCD09817490 |
| SMILES | C1=CN=C(N=C1)C2=CC=C(C=C2)N |
| IUPAC Name | 4-pyrimidin-2-ylaniline |
| InChI Key | RUVNVJCKWOOLOH-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3 |
1-Methyl-1H-benzimidazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 53484-17-6 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD06809665 InChI Key: KAJLCBKTWRUQOI-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole-5-carboxylic acid,1-methyl-1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylic acid, 1-methyl,1-methyl-1h-1,3-benzodiazole-5-carboxylic acid,1-methyl-1,3-benzodiazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid, 1-methyl,1-methyl-5-benzimidazolecarboxylic acid,1-methyl-1h-benzimidazole-5-carboxylicacid,1-methylbenzimidazol-5-carboxylic acid,1-methylbenzimidazole-5-carboxylicacid PubChem CID: 4913063 IUPAC Name: 1-methylbenzimidazole-5-carboxylic acid SMILES: CN1C=NC2=C1C=CC(=C2)C(=O)O
| PubChem CID | 4913063 |
|---|---|
| CAS | 53484-17-6 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD06809665 |
| SMILES | CN1C=NC2=C1C=CC(=C2)C(=O)O |
| Synonym | 1-methyl-1h-benzimidazole-5-carboxylic acid,1-methyl-1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylic acid, 1-methyl,1-methyl-1h-1,3-benzodiazole-5-carboxylic acid,1-methyl-1,3-benzodiazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid, 1-methyl,1-methyl-5-benzimidazolecarboxylic acid,1-methyl-1h-benzimidazole-5-carboxylicacid,1-methylbenzimidazol-5-carboxylic acid,1-methylbenzimidazole-5-carboxylicacid |
| IUPAC Name | 1-methylbenzimidazole-5-carboxylic acid |
| InChI Key | KAJLCBKTWRUQOI-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
3-Methoxyazetidine hydrochloride, 95%
CAS: 148644-09-1 Molecular Formula: C4H10ClNO Molecular Weight (g/mol): 123.58 MDL Number: MFCD06804514 InChI Key: KSXGQRBTBLQJEF-UHFFFAOYSA-N Synonym: 3-methoxyazetidine hydrochloride,3-methoxy-azetidine hydrochloride,3-azetidinyl methyl ether hydrochloride,3-methoxyazetidine hcl,azetidine, 3-methoxy-, hydrochloride,azetidine, 3-methoxy-,hydrochloride 1:1,acmc-20a0d9,ksc495e1t,3-methoxyazetidinehydrochloride,3-methoxy-azetidine-hydrochloride PubChem CID: 22242858 IUPAC Name: 3-methoxyazetidine;hydrochloride SMILES: COC1CNC1.Cl
| PubChem CID | 22242858 |
|---|---|
| CAS | 148644-09-1 |
| Molecular Weight (g/mol) | 123.58 |
| MDL Number | MFCD06804514 |
| SMILES | COC1CNC1.Cl |
| Synonym | 3-methoxyazetidine hydrochloride,3-methoxy-azetidine hydrochloride,3-azetidinyl methyl ether hydrochloride,3-methoxyazetidine hcl,azetidine, 3-methoxy-, hydrochloride,azetidine, 3-methoxy-,hydrochloride 1:1,acmc-20a0d9,ksc495e1t,3-methoxyazetidinehydrochloride,3-methoxy-azetidine-hydrochloride |
| IUPAC Name | 3-methoxyazetidine;hydrochloride |
| InChI Key | KSXGQRBTBLQJEF-UHFFFAOYSA-N |
| Molecular Formula | C4H10ClNO |
Benzo[b]thiophene-2-carboxylic acid, 98%
CAS: 6314-28-9 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00051636 InChI Key: DYSJMQABFPKAQM-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carboxylic acid,thianaphthene-2-carboxylic acid,thionaphthene-2-carboxylic acid,tnca,benzothiophene-2-carboxylic acid,2-benzo b thiophenecarboxylic acid,unii-hlr49221fq,thionapthene-2-carboxylic acid,thianaphthene-2-carboxylicacid PubChem CID: 95864 IUPAC Name: 1-benzothiophene-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2S1
| PubChem CID | 95864 |
|---|---|
| CAS | 6314-28-9 |
| Molecular Weight (g/mol) | 178.21 |
| MDL Number | MFCD00051636 |
| SMILES | OC(=O)C1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carboxylic acid,thianaphthene-2-carboxylic acid,thionaphthene-2-carboxylic acid,tnca,benzothiophene-2-carboxylic acid,2-benzo b thiophenecarboxylic acid,unii-hlr49221fq,thionapthene-2-carboxylic acid,thianaphthene-2-carboxylicacid |
| IUPAC Name | 1-benzothiophene-2-carboxylic acid |
| InChI Key | DYSJMQABFPKAQM-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2S |