Organoheterocyclic compounds
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1,2,4-Triazole, 99%
CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1
| PubChem CID | 9257 |
|---|---|
| CAS | 288-88-0 |
| Molecular Weight (g/mol) | 69.067 |
| ChEBI | CHEBI:35550 |
| MDL Number | MFCD00005228 |
| SMILES | C1=NC=NN1 |
| Synonym | 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van |
| IUPAC Name | 1H-1,2,4-triazole |
| InChI Key | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
3-(1H-1,2,4-triazol-1-ylmethyl)aniline, ≥97%, Thermo Scientific™
CAS: 127988-22-1 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD08060528 InChI Key: LFINNEVQJQXPHN-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-yl methyl aniline,3-1,2,4 triazol-1-ylmethyl-phenylamine,3-1h-1,2,4-triazol-1-yl methyl aniline,benzenamine,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl phenylamine,acmc-20e0ac,1-3-aminobenzyl-1h-1,2,4-triazole PubChem CID: 6482004 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC(=CC(=C1)N)CN2C=NC=N2
| PubChem CID | 6482004 |
|---|---|
| CAS | 127988-22-1 |
| Molecular Weight (g/mol) | 174.207 |
| MDL Number | MFCD08060528 |
| SMILES | C1=CC(=CC(=C1)N)CN2C=NC=N2 |
| Synonym | 3-1h-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-yl methyl aniline,3-1,2,4 triazol-1-ylmethyl-phenylamine,3-1h-1,2,4-triazol-1-yl methyl aniline,benzenamine,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl phenylamine,acmc-20e0ac,1-3-aminobenzyl-1h-1,2,4-triazole |
| IUPAC Name | 3-(1,2,4-triazol-1-ylmethyl)aniline |
| InChI Key | LFINNEVQJQXPHN-UHFFFAOYSA-N |
| Molecular Formula | C9H10N4 |
Methyl 1,2,4-triazole-3-carboxylate, 98%
CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1
| PubChem CID | 2735089 |
|---|---|
| CAS | 4928-88-5 |
| Molecular Weight (g/mol) | 127.103 |
| MDL Number | MFCD00135989 |
| SMILES | COC(=O)C1=NC=NN1 |
| IUPAC Name | methyl 1H-1,2,4-triazole-5-carboxylate |
| InChI Key | QMPFMODFBNEYJH-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 857284-23-2 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.20 MDL Number: MFCD07186456 InChI Key: XIJPFLBFQZEFKY-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 3159713 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: OC(=O)C1=CC(CN2C=NC=N2)=CC=C1
| PubChem CID | 3159713 |
|---|---|
| CAS | 857284-23-2 |
| Molecular Weight (g/mol) | 203.20 |
| MDL Number | MFCD07186456 |
| SMILES | OC(=O)C1=CC(CN2C=NC=N2)=CC=C1 |
| Synonym | 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl |
| IUPAC Name | 3-(1,2,4-triazol-1-ylmethyl)benzoic acid |
| InChI Key | XIJPFLBFQZEFKY-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
4-(1H-1,2,4-triazol-1-ylmethyl)aniline, ≥97%, Thermo Scientific™
CAS: 119192-10-8 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD00973306 InChI Key: ZGLQVRIVLWGDNA-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine PubChem CID: 821219 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC(=CC=C1CN2C=NC=N2)N
| PubChem CID | 821219 |
|---|---|
| CAS | 119192-10-8 |
| Molecular Weight (g/mol) | 174.207 |
| MDL Number | MFCD00973306 |
| SMILES | C1=CC(=CC=C1CN2C=NC=N2)N |
| Synonym | 4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine |
| IUPAC Name | 4-(1,2,4-triazol-1-ylmethyl)aniline |
| InChI Key | ZGLQVRIVLWGDNA-UHFFFAOYSA-N |
| Molecular Formula | C9H10N4 |
1-Chloromethyl-1H-1,2,4-triazole hydrochloride, 96%
CAS: 84387-61-1 Molecular Formula: C3H4ClN3 Molecular Weight (g/mol): 117.54 MDL Number: MFCD00964947 InChI Key: PXNMFQMREJNQQT-UHFFFAOYSA-N PubChem CID: 3743882 SMILES: ClCN1C=NC=N1
| PubChem CID | 3743882 |
|---|---|
| CAS | 84387-61-1 |
| Molecular Weight (g/mol) | 117.54 |
| MDL Number | MFCD00964947 |
| SMILES | ClCN1C=NC=N1 |
| InChI Key | PXNMFQMREJNQQT-UHFFFAOYSA-N |
| Molecular Formula | C3H4ClN3 |
6-Bromo-[1,2,4]triazolo[1,5-a]pyridine, 96%, Thermo Scientific Chemicals
CAS: 356560-80-0 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.023 MDL Number: MFCD08689534 InChI Key: CXRXKDSDRWLKTK-UHFFFAOYSA-N Synonym: 6-bromo-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine, 6-bromo,6-bromo-1,2,4-triazolo-1,5-a-pyridine,6-bromo-1,2,4-triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine,6-bromo,6-bromanyl-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-alpha pyridine,tert-butyl 6e-7-4-4-fluorophenyl-6-isopropyl-2-methyl methylsulfonyl amino pyrimidin-5-yl-3r,5s-3,5-dihydroxyhept-6-enoate PubChem CID: 11513934 IUPAC Name: 6-bromo-[1,2,4]triazolo[1,5-a]pyridine SMILES: C1=CC2=NC=NN2C=C1Br
| PubChem CID | 11513934 |
|---|---|
| CAS | 356560-80-0 |
| Molecular Weight (g/mol) | 198.023 |
| MDL Number | MFCD08689534 |
| SMILES | C1=CC2=NC=NN2C=C1Br |
| Synonym | 6-bromo-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine, 6-bromo,6-bromo-1,2,4-triazolo-1,5-a-pyridine,6-bromo-1,2,4-triazolo 1,5-a pyridine,1,2,4 triazolo 1,5-a pyridine,6-bromo,6-bromanyl-1,2,4 triazolo 1,5-a pyridine,6-bromo 1,2,4 triazolo 1,5-alpha pyridine,tert-butyl 6e-7-4-4-fluorophenyl-6-isopropyl-2-methyl methylsulfonyl amino pyrimidin-5-yl-3r,5s-3,5-dihydroxyhept-6-enoate |
| IUPAC Name | 6-bromo-[1,2,4]triazolo[1,5-a]pyridine |
| InChI Key | CXRXKDSDRWLKTK-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrN3 |
5-Amino-1H-benzotriazole, 96%
CAS: 3325-11-9 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00047209 InChI Key: XSFHICWNEBCMNN-UHFFFAOYSA-N Synonym: 5-aminobenzotriazole,1h-1,2,3-benzotriazol-5-amine,1h-benzotriazol-6-amine,1h-benzotriazol-5-amine,5-amino-1h-benzotriazole,2h-benzo d 1,2,3 triazol-5-amine,1h-benzo d 1,2,3 triazol-5-amine,benzotriazole-5-ylamine,3h-1,2,3-benzotriazol-5-amine,5-amino benzotriazole PubChem CID: 76844 IUPAC Name: 2H-benzotriazol-5-amine SMILES: C1=CC2=NNN=C2C=C1N
| PubChem CID | 76844 |
|---|---|
| CAS | 3325-11-9 |
| Molecular Weight (g/mol) | 134.14 |
| MDL Number | MFCD00047209 |
| SMILES | C1=CC2=NNN=C2C=C1N |
| Synonym | 5-aminobenzotriazole,1h-1,2,3-benzotriazol-5-amine,1h-benzotriazol-6-amine,1h-benzotriazol-5-amine,5-amino-1h-benzotriazole,2h-benzo d 1,2,3 triazol-5-amine,1h-benzo d 1,2,3 triazol-5-amine,benzotriazole-5-ylamine,3h-1,2,3-benzotriazol-5-amine,5-amino benzotriazole |
| IUPAC Name | 2H-benzotriazol-5-amine |
| InChI Key | XSFHICWNEBCMNN-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4 |
Phthalan, 98%
CAS: 496-14-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00005932 InChI Key: SFLGSKRGOWRGBR-UHFFFAOYSA-N Synonym: phthalan,1,3-dihydroisobenzofuran,isocoumaran,isobenzofuran, 1,3-dihydro,o-xylylene oxide,2-oxaindan,1,3-dihydro isobenzofuran,unii-2r6ntq7y6g,ccris 1557,2r6ntq7y6g PubChem CID: 10327 IUPAC Name: 1,3-dihydro-2-benzofuran SMILES: C1C2=CC=CC=C2CO1
| PubChem CID | 10327 |
|---|---|
| CAS | 496-14-0 |
| Molecular Weight (g/mol) | 120.151 |
| MDL Number | MFCD00005932 |
| SMILES | C1C2=CC=CC=C2CO1 |
| Synonym | phthalan,1,3-dihydroisobenzofuran,isocoumaran,isobenzofuran, 1,3-dihydro,o-xylylene oxide,2-oxaindan,1,3-dihydro isobenzofuran,unii-2r6ntq7y6g,ccris 1557,2r6ntq7y6g |
| IUPAC Name | 1,3-dihydro-2-benzofuran |
| InChI Key | SFLGSKRGOWRGBR-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
2,4,5-Trimethyloxazole, 97%
CAS: 20662-84-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD00005308 InChI Key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N Synonym: 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 PubChem CID: 30215 IUPAC Name: 2,4,5-trimethyl-1,3-oxazole SMILES: CC1=C(OC(=N1)C)C
| PubChem CID | 30215 |
|---|---|
| CAS | 20662-84-4 |
| Molecular Weight (g/mol) | 111.144 |
| MDL Number | MFCD00005308 |
| SMILES | CC1=C(OC(=N1)C)C |
| Synonym | 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 |
| IUPAC Name | 2,4,5-trimethyl-1,3-oxazole |
| InChI Key | ZRLDBDZSLLGDOX-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO |
Ethyl 4-methyloxazole-5-carboxylate, 97+%
CAS: 20485-39-6 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00062573 InChI Key: XNMORZSEENWFLI-UHFFFAOYSA-N PubChem CID: 88558 IUPAC Name: ethyl 4-methyl-1,3-oxazole-5-carboxylate SMILES: CCOC(=O)C1=C(C)N=CO1
| PubChem CID | 88558 |
|---|---|
| CAS | 20485-39-6 |
| Molecular Weight (g/mol) | 155.15 |
| MDL Number | MFCD00062573 |
| SMILES | CCOC(=O)C1=C(C)N=CO1 |
| IUPAC Name | ethyl 4-methyl-1,3-oxazole-5-carboxylate |
| InChI Key | XNMORZSEENWFLI-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3 |
2,5-Dimethyl-1,3-oxazole-4-carbonyl chloride, 97%, Thermo Scientific™
CAS: 197719-27-0 Molecular Formula: C6H6ClNO2 Molecular Weight (g/mol): 159.57 MDL Number: MFCD04972642 InChI Key: XZXCVPKMCPXVFF-UHFFFAOYSA-N PubChem CID: 7018020 SMILES: CC1=NC(C(Cl)=O)=C(C)O1
| PubChem CID | 7018020 |
|---|---|
| CAS | 197719-27-0 |
| Molecular Weight (g/mol) | 159.57 |
| MDL Number | MFCD04972642 |
| SMILES | CC1=NC(C(Cl)=O)=C(C)O1 |
| InChI Key | XZXCVPKMCPXVFF-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO2 |
4-(2-Benzoxazolyl)-4-(5-Methyl-2-Benzoxazolyl)Stilbene, Spectrum™ Chemical
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CAS: 5242-49-9
| CAS | 5242-49-9 |
|---|
4,4,4,4-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid), ≥95.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00070632 Synonym: meso-Tetraphenylporphine-4,4 ′,4 ′′,4 ′′′-tetrasulfonic acid
| MDL Number | MFCD00070632 |
|---|---|
| Synonym | meso-Tetraphenylporphine-4,4 ′,4 ′′,4 ′′′-tetrasulfonic acid |
Zinc phthalocyanine, 96%
CAS: 14320-04-8 InChI Key: PODBBOVVOGJETB-UHFFFAOYSA-N Synonym: zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % PubChem CID: 2735172 ChEBI: CHEBI:51218 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
| PubChem CID | 2735172 |
|---|---|
| CAS | 14320-04-8 |
| ChEBI | CHEBI:51218 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2] |
| Synonym | zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % |
| InChI Key | PODBBOVVOGJETB-UHFFFAOYSA-N |