Benzene and substituted derivatives
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Tolylene 2,6-diisocyanate, 97%
CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O
| PubChem CID | 7040 |
|---|---|
| CAS | 91-08-7 |
| Molecular Weight (g/mol) | 174.16 |
| ChEBI | CHEBI:53557 |
| MDL Number | MFCD00002010 |
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O |
| Synonym | 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene |
| IUPAC Name | 1,3-diisocyanato-2-methylbenzene |
| InChI Key | RUELTTOHQODFPA-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
Phenylethyl isothiocyanate, 96%
CAS: 2257-09-2 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N ChEBI: CHEBI:351346
| CAS | 2257-09-2 |
|---|---|
| Molecular Weight (g/mol) | 163.24 |
| ChEBI | CHEBI:351346 |
| MDL Number | MFCD00004821 |
| InChI Key | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| Molecular Formula | C9H9NS |
2,4-Dibromo-6-fluoroaniline, 97%, Thermo Scientific™
CAS: 141474-37-5 Molecular Formula: C6H4Br2FN Molecular Weight (g/mol): 268.91 MDL Number: MFCD00042230 InChI Key: YJLXEKFYZIBUPJ-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine PubChem CID: 2736765 IUPAC Name: 2,4-dibromo-6-fluoroaniline SMILES: NC1=C(F)C=C(Br)C=C1Br
| PubChem CID | 2736765 |
|---|---|
| CAS | 141474-37-5 |
| Molecular Weight (g/mol) | 268.91 |
| MDL Number | MFCD00042230 |
| SMILES | NC1=C(F)C=C(Br)C=C1Br |
| Synonym | benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine |
| IUPAC Name | 2,4-dibromo-6-fluoroaniline |
| InChI Key | YJLXEKFYZIBUPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2FN |
4-Bromo-2-chloroaniline, 98+%
CAS: 38762-41-3 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD00007660 InChI Key: INMZDDDQLHKGPF-UHFFFAOYSA-N Synonym: 2-chloro-4-bromoaniline,4-bromo-2-chloro-phenylamine,benzenamine, 4-bromo-2-chloro,4-bromo-2-chloro-aniline,4-bromo-2-chlorophenylamine,4-bromo-6-chloroaniline,4-bromo-2-chlorobenzenamine,zlchem 546,pubchem3578,2-chloro4-bromoaniline PubChem CID: 610169 IUPAC Name: 4-bromo-2-chloroaniline SMILES: C1=CC(=C(C=C1Br)Cl)N
| PubChem CID | 610169 |
|---|---|
| CAS | 38762-41-3 |
| Molecular Weight (g/mol) | 206.467 |
| MDL Number | MFCD00007660 |
| SMILES | C1=CC(=C(C=C1Br)Cl)N |
| Synonym | 2-chloro-4-bromoaniline,4-bromo-2-chloro-phenylamine,benzenamine, 4-bromo-2-chloro,4-bromo-2-chloro-aniline,4-bromo-2-chlorophenylamine,4-bromo-6-chloroaniline,4-bromo-2-chlorobenzenamine,zlchem 546,pubchem3578,2-chloro4-bromoaniline |
| IUPAC Name | 4-bromo-2-chloroaniline |
| InChI Key | INMZDDDQLHKGPF-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
(R)-(-)-2-Benzylamino-1-butanol, 99%, Thermo Scientific Chemicals
CAS: 6257-49-4 Molecular Formula: C11H17NO Molecular Weight (g/mol): 179.263 MDL Number: MFCD00085354 InChI Key: PGFBTQBTIYCCFJ-LLVKDONJSA-N Synonym: r-2-benzylamino butan-1-ol,2r-2-benzylamino butan-1-ol,r---2-benzylamino-1-butanol,r-2-benzylamino-1-butanol,2-benzylamino-1-butanol #,r---n-benzyl-2-amino-1-butanol,2r-2-phenylmethyl amino-1-butanol,pound r pound c---2-benzylamino butan-1-ol PubChem CID: 927306 IUPAC Name: (2R)-2-(benzylamino)butan-1-ol SMILES: CCC(CO)NCC1=CC=CC=C1
| PubChem CID | 927306 |
|---|---|
| CAS | 6257-49-4 |
| Molecular Weight (g/mol) | 179.263 |
| MDL Number | MFCD00085354 |
| SMILES | CCC(CO)NCC1=CC=CC=C1 |
| Synonym | r-2-benzylamino butan-1-ol,2r-2-benzylamino butan-1-ol,r---2-benzylamino-1-butanol,r-2-benzylamino-1-butanol,2-benzylamino-1-butanol #,r---n-benzyl-2-amino-1-butanol,2r-2-phenylmethyl amino-1-butanol,pound r pound c---2-benzylamino butan-1-ol |
| IUPAC Name | (2R)-2-(benzylamino)butan-1-ol |
| InChI Key | PGFBTQBTIYCCFJ-LLVKDONJSA-N |
| Molecular Formula | C11H17NO |
4-Methyl-3-nitrobenzamide, 98%
CAS: 19013-11-7 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00027392 InChI Key: YEUGEQUFPMJGCD-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzamide,benzamide, 4-methyl-3-nitro,benzamide,4-methyl-3-nitro,acmc-20amdw PubChem CID: 87896 IUPAC Name: 4-methyl-3-nitrobenzamide SMILES: CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]
| PubChem CID | 87896 |
|---|---|
| CAS | 19013-11-7 |
| Molecular Weight (g/mol) | 180.163 |
| MDL Number | MFCD00027392 |
| SMILES | CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-] |
| Synonym | 3-nitro-4-methylbenzamide,benzamide, 4-methyl-3-nitro,benzamide,4-methyl-3-nitro,acmc-20amdw |
| IUPAC Name | 4-methyl-3-nitrobenzamide |
| InChI Key | YEUGEQUFPMJGCD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical
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CAS: 52-51-7 Molecular Formula: C3H6BrNO4 Molecular Weight (g/mol): 199.99 InChI Key: LVDKZNITIUWNER-UHFFFAOYSA-N IUPAC Name: 2-bromo-2-nitropropane-1,3-diol SMILES: OCC(Br)(CO)[N+]([O-])=O
| CAS | 52-51-7 |
|---|---|
| Molecular Weight (g/mol) | 199.99 |
| SMILES | OCC(Br)(CO)[N+]([O-])=O |
| IUPAC Name | 2-bromo-2-nitropropane-1,3-diol |
| InChI Key | LVDKZNITIUWNER-UHFFFAOYSA-N |
| Molecular Formula | C3H6BrNO4 |
Doxylamine Succinate, USP, 98-101%, Spectrum™ Chemical
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CAS: 562-10-7 Molecular Formula: C21H28N2O5 Molecular Weight (g/mol): 388.46 MDL Number: MFCD00056168 InChI Key: KBAUFVUYFNWQFM-UHFFFAOYNA-N IUPAC Name: butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine SMILES: OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
| CAS | 562-10-7 |
|---|---|
| Molecular Weight (g/mol) | 388.46 |
| MDL Number | MFCD00056168 |
| SMILES | OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 |
| IUPAC Name | butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine |
| InChI Key | KBAUFVUYFNWQFM-UHFFFAOYNA-N |
| Molecular Formula | C21H28N2O5 |
(S)-(-)-1-(4-Fluorophenyl)ethylamine, ChiPros 99%, ee 99%
CAS: 66399-30-2 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03092999 InChI Key: QGCLEUGNYRXBMZ-LURJTMIESA-N Synonym: s-1-4-fluorophenyl ethylamine,s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethylamine,s-1-4-fluoro-phenyl-ethylamine,s---1-4-fluorophenyl ethylamine,1s-1-4-fluorophenyl ethan-1-amine,pubchem15218,5-1-4-fluorophenyl ethanamine,s-4-fluoro-,a-methylbenzylamine PubChem CID: 2779063 IUPAC Name: (1S)-1-(4-fluorophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)F)N
| PubChem CID | 2779063 |
|---|---|
| CAS | 66399-30-2 |
| Molecular Weight (g/mol) | 139.173 |
| MDL Number | MFCD03092999 |
| SMILES | CC(C1=CC=C(C=C1)F)N |
| Synonym | s-1-4-fluorophenyl ethylamine,s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethylamine,s-1-4-fluoro-phenyl-ethylamine,s---1-4-fluorophenyl ethylamine,1s-1-4-fluorophenyl ethan-1-amine,pubchem15218,5-1-4-fluorophenyl ethanamine,s-4-fluoro-,a-methylbenzylamine |
| IUPAC Name | (1S)-1-(4-fluorophenyl)ethanamine |
| InChI Key | QGCLEUGNYRXBMZ-LURJTMIESA-N |
| Molecular Formula | C8H10FN |
p-Anisaldehyde, 98%, Spectrum™ Chemical
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CAS: 123-11-5
| CAS | 123-11-5 |
|---|
Fluconazole, Research Grade, Spectrum™ Chemical
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CAS: 86386-73-4
| CAS | 86386-73-4 |
|---|
2-Phenoxybenzaldehyde, 98%, Thermo Scientific™
CAS: 19434-34-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00800666 InChI Key: IMPIIVKYTNMBCD-UHFFFAOYSA-N Synonym: o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384 PubChem CID: 88060 IUPAC Name: 2-phenoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 88060 |
|---|---|
| CAS | 19434-34-5 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00800666 |
| SMILES | O=CC1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384 |
| IUPAC Name | 2-phenoxybenzaldehyde |
| InChI Key | IMPIIVKYTNMBCD-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
Fenofibrate, BP, EP, 98-102%, Spectrum™ Chemical
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CAS: 49562-28-9 Molecular Formula: C20H21ClO4 Molecular Weight (g/mol): 360.83 InChI Key: YMTINGFKWWXKFG-UHFFFAOYSA-N IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
| CAS | 49562-28-9 |
|---|---|
| Molecular Weight (g/mol) | 360.83 |
| SMILES | CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 |
| IUPAC Name | propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate |
| InChI Key | YMTINGFKWWXKFG-UHFFFAOYSA-N |
| Molecular Formula | C20H21ClO4 |
Ketoprofen, Micronized, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 InChI Key: DKYWVDODHFEZIM-UHFFFAOYNA-N IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
| CAS | 22071-15-4 |
|---|---|
| Molecular Weight (g/mol) | 254.29 |
| SMILES | CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1 |
| IUPAC Name | 2-(3-benzoylphenyl)propanoic acid |
| InChI Key | DKYWVDODHFEZIM-UHFFFAOYNA-N |
| Molecular Formula | C16H14O3 |