Benzenoids
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3-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde, ≥95%, Thermo Scientific™
CAS: 859850-88-7 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD08271925 InChI Key: KKYYCUZQPBFXKD-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl methyl benzaldehyde,benzaldehyde,3-4-methyl-1-piperazinyl methyl,3-4-methylpiperazinyl methyl benzaldehyde,3-4-methyl-1-piperazinyl methyl benzaldehyde PubChem CID: 18525774 IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde SMILES: CN1CCN(CC1)CC2=CC=CC(=C2)C=O
| PubChem CID | 18525774 |
|---|---|
| CAS | 859850-88-7 |
| Molecular Weight (g/mol) | 218.3 |
| MDL Number | MFCD08271925 |
| SMILES | CN1CCN(CC1)CC2=CC=CC(=C2)C=O |
| Synonym | 3-4-methylpiperazin-1-yl methyl benzaldehyde,benzaldehyde,3-4-methyl-1-piperazinyl methyl,3-4-methylpiperazinyl methyl benzaldehyde,3-4-methyl-1-piperazinyl methyl benzaldehyde |
| IUPAC Name | 3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde |
| InChI Key | KKYYCUZQPBFXKD-UHFFFAOYSA-N |
| Molecular Formula | C13H18N2O |
Sulfasalazine, USP, 97-101.5%, Spectrum™ Chemical
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CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
| CAS | 599-79-1 |
|---|---|
| Molecular Weight (g/mol) | 398.39 |
| SMILES | OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |
| IUPAC Name | (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid |
| InChI Key | OQANPHBRHBJGNZ-BKUYFWCQSA-N |
| Molecular Formula | C18H14N4O5S |
Fenoprefen calcium salt, Hydrate, MP Biomedicals™
CAS: 53746-45-5 Molecular Formula: C30H30CaO8 Molecular Weight (g/mol): 558.64 MDL Number: MFCD00242722 InChI Key: LZPBLUATTGKZBH-UHFFFAOYSA-L Synonym: fenopron,nalgesic,calcium-2-m-phenoxyphenyl propionate, hydrate,fenoprofen calcium salt,dl-2-3-phenoxyphenyl-propionic acid calcium salt, hydrate.,fenoprofen calcium;phenyloxy brufen,calcium salt,2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate dihydrate,dihydrate 2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate PubChem CID: 44119558 ChEBI: CHEBI:5005 IUPAC Name: calcium;2-(3-phenoxyphenyl)propanoate;dihydrate SMILES: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]
| PubChem CID | 44119558 |
|---|---|
| CAS | 53746-45-5 |
| Molecular Weight (g/mol) | 558.64 |
| ChEBI | CHEBI:5005 |
| MDL Number | MFCD00242722 |
| SMILES | CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2] |
| Synonym | fenopron,nalgesic,calcium-2-m-phenoxyphenyl propionate, hydrate,fenoprofen calcium salt,dl-2-3-phenoxyphenyl-propionic acid calcium salt, hydrate.,fenoprofen calcium;phenyloxy brufen,calcium salt,2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate dihydrate,dihydrate 2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate |
| IUPAC Name | calcium;2-(3-phenoxyphenyl)propanoate;dihydrate |
| InChI Key | LZPBLUATTGKZBH-UHFFFAOYSA-L |
| Molecular Formula | C30H30CaO8 |
Tri(o-tolyl)phosphine, 98+%
CAS: 6163-58-2 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.373 MDL Number: MFCD00008514 InChI Key: COIOYMYWGDAQPM-UHFFFAOYSA-N Synonym: tri-o-tolylphosphine,tri o-tolyl phosphine,tris 2-methylphenyl phosphine,tris 2-methylphenyl phosphane,phosphine, tris 2-methylphenyl,tris o-tolyl phosphine,tri-ortho-toylphosphine,tri-ortho-tolylphosphine,phosphine, tri-o-tolyl,tri 2-methylphenyl phosphine PubChem CID: 80271 IUPAC Name: tris(2-methylphenyl)phosphane SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C
| PubChem CID | 80271 |
|---|---|
| CAS | 6163-58-2 |
| Molecular Weight (g/mol) | 304.373 |
| MDL Number | MFCD00008514 |
| SMILES | CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C |
| Synonym | tri-o-tolylphosphine,tri o-tolyl phosphine,tris 2-methylphenyl phosphine,tris 2-methylphenyl phosphane,phosphine, tris 2-methylphenyl,tris o-tolyl phosphine,tri-ortho-toylphosphine,tri-ortho-tolylphosphine,phosphine, tri-o-tolyl,tri 2-methylphenyl phosphine |
| IUPAC Name | tris(2-methylphenyl)phosphane |
| InChI Key | COIOYMYWGDAQPM-UHFFFAOYSA-N |
| Molecular Formula | C21H21P |
2-Bromo-1-{4-methyl-2-[4-(trifluoromethyl)phenyl]1,3-thiazol-5-yl}-1-ethanone, ≥97%, Thermo Scientific™
CAS: 845885-81-6 Molecular Formula: C13H9BrF3NOS Molecular Weight (g/mol): 364.18 MDL Number: MFCD05664414 InChI Key: XGHUMHHAMHEPCS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-5-thiazolyl PubChem CID: 2794631 IUPAC Name: 2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CBr
| PubChem CID | 2794631 |
|---|---|
| CAS | 845885-81-6 |
| Molecular Weight (g/mol) | 364.18 |
| MDL Number | MFCD05664414 |
| SMILES | CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CBr |
| Synonym | 2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-5-thiazolyl |
| IUPAC Name | 2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone |
| InChI Key | XGHUMHHAMHEPCS-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrF3NOS |
2,2,4,4,6,8,8-Heptamethylnonane, 98.3%, MP Biomedicals™
CAS: 4393-09-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 InChI Key: LVMPWFJVYMXSNY-UHFFFAOYSA-N Synonym: 2,3-dimethoxybenzylamine,2,3-dimethoxyphenyl methanamine,1-2,3-dimethoxyphenyl methanamine,benzenemethanamine, 2,3-dimethoxy,2,3-dimethoxy-benzylamine,2,3-dimethoxy benzylamine,pubchem7399,2,3-dimethoxybenzyl amine,acmc-2097fc PubChem CID: 78106 IUPAC Name: (2,3-dimethoxyphenyl)methanamine SMILES: COC1=CC=CC(=C1OC)CN
| PubChem CID | 78106 |
|---|---|
| CAS | 4393-09-3 |
| Molecular Weight (g/mol) | 167.21 |
| SMILES | COC1=CC=CC(=C1OC)CN |
| Synonym | 2,3-dimethoxybenzylamine,2,3-dimethoxyphenyl methanamine,1-2,3-dimethoxyphenyl methanamine,benzenemethanamine, 2,3-dimethoxy,2,3-dimethoxy-benzylamine,2,3-dimethoxy benzylamine,pubchem7399,2,3-dimethoxybenzyl amine,acmc-2097fc |
| IUPAC Name | (2,3-dimethoxyphenyl)methanamine |
| InChI Key | LVMPWFJVYMXSNY-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
4'-Nitroacetanilide, 98%
CAS: 104-04-1 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00007303 InChI Key: NQRLPDFELNCFHW-UHFFFAOYSA-N Synonym: 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline PubChem CID: 7691 IUPAC Name: N-(4-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 7691 |
|---|---|
| CAS | 104-04-1 |
| Molecular Weight (g/mol) | 180.163 |
| MDL Number | MFCD00007303 |
| SMILES | CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline |
| IUPAC Name | N-(4-nitrophenyl)acetamide |
| InChI Key | NQRLPDFELNCFHW-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
3,5-Dinitrosalicylic Acid, 98%, Spectrum™ Chemical
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CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.12 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N IUPAC Name: 2-hydroxy-3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
| CAS | 609-99-4 |
|---|---|
| Molecular Weight (g/mol) | 228.12 |
| SMILES | OC(=O)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O |
| IUPAC Name | 2-hydroxy-3,5-dinitrobenzoic acid |
| InChI Key | LWFUFLREGJMOIZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O7 |
Methyl 2-amino-4-chlorobenzoate, 98%
CAS: 5900-58-3 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD00017568 InChI Key: YPSSCICDVDOEAI-UHFFFAOYSA-N Synonym: methyl 4-chloroanthranilate,2-amino-4-chloro-benzoic acid methyl ester,methyl2-amino-4-chlorobenzoate,benzoic acid, 2-amino-4-chloro-, methyl ester,2-amino-4-chlorobenzoic acid methyl ester,pubchem4643,methyl 4-chloro-anthranilate,methyl 2-amino4-chlorobenzoate,methyl-2-amino-4-chlorobenzoate PubChem CID: 80001 IUPAC Name: methyl 2-amino-4-chlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)N
| PubChem CID | 80001 |
|---|---|
| CAS | 5900-58-3 |
| Molecular Weight (g/mol) | 185.607 |
| MDL Number | MFCD00017568 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)N |
| Synonym | methyl 4-chloroanthranilate,2-amino-4-chloro-benzoic acid methyl ester,methyl2-amino-4-chlorobenzoate,benzoic acid, 2-amino-4-chloro-, methyl ester,2-amino-4-chlorobenzoic acid methyl ester,pubchem4643,methyl 4-chloro-anthranilate,methyl 2-amino4-chlorobenzoate,methyl-2-amino-4-chlorobenzoate |
| IUPAC Name | methyl 2-amino-4-chlorobenzoate |
| InChI Key | YPSSCICDVDOEAI-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
2,4-Dichloro-6-iodoaniline, 97%
CAS: 697-90-5 Molecular Formula: C6H4Cl2IN Molecular Weight (g/mol): 287.909 MDL Number: MFCD00007661 InChI Key: YJRSMJTVXWBFJJ-UHFFFAOYSA-N Synonym: 2,4-dichloro-6-iodobenzenamine,2,4-dichloro-6-iodophenylamine,4,6-dichloro-2-iodophenylamine,2,4-dichloro-6-iodo-phenylamine,benzenamine,2,4-dichloro-6-iodo,benzenamine, 2,4-dichloro-6-iodo,1-amino-2,4-dichloro-6-iodobenzene PubChem CID: 7577525 IUPAC Name: 2,4-dichloro-6-iodoaniline SMILES: C1=C(C=C(C(=C1Cl)N)I)Cl
| PubChem CID | 7577525 |
|---|---|
| CAS | 697-90-5 |
| Molecular Weight (g/mol) | 287.909 |
| MDL Number | MFCD00007661 |
| SMILES | C1=C(C=C(C(=C1Cl)N)I)Cl |
| Synonym | 2,4-dichloro-6-iodobenzenamine,2,4-dichloro-6-iodophenylamine,4,6-dichloro-2-iodophenylamine,2,4-dichloro-6-iodo-phenylamine,benzenamine,2,4-dichloro-6-iodo,benzenamine, 2,4-dichloro-6-iodo,1-amino-2,4-dichloro-6-iodobenzene |
| IUPAC Name | 2,4-dichloro-6-iodoaniline |
| InChI Key | YJRSMJTVXWBFJJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2IN |
3-Bromophenylurea, 97%
CAS: 2989-98-2 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00041317 InChI Key: DHMRSMNEKFDABI-UHFFFAOYSA-N Synonym: 1-3-bromophenyl urea,3-bromophenyl urea,unii-02r6npo627,n-3-bromophenyl urea,m-bromophenylurea,amino-n-3-bromophenyl amide,urea, 3-bromophenyl,3-bromopheylurea,acmc-20an85 PubChem CID: 18129 IUPAC Name: (3-bromophenyl)urea SMILES: C1=CC(=CC(=C1)Br)NC(=O)N
| PubChem CID | 18129 |
|---|---|
| CAS | 2989-98-2 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00041317 |
| SMILES | C1=CC(=CC(=C1)Br)NC(=O)N |
| Synonym | 1-3-bromophenyl urea,3-bromophenyl urea,unii-02r6npo627,n-3-bromophenyl urea,m-bromophenylurea,amino-n-3-bromophenyl amide,urea, 3-bromophenyl,3-bromopheylurea,acmc-20an85 |
| IUPAC Name | (3-bromophenyl)urea |
| InChI Key | DHMRSMNEKFDABI-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN2O |
4-Bromo-3-methoxyaniline, 97+%
CAS: 19056-40-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD05664063 InChI Key: RUTNWXBHRAIQSP-UHFFFAOYSA-N Synonym: 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 PubChem CID: 7018254 IUPAC Name: 4-bromo-3-methoxyaniline SMILES: COC1=C(Br)C=CC(N)=C1
| PubChem CID | 7018254 |
|---|---|
| CAS | 19056-40-7 |
| Molecular Weight (g/mol) | 202.05 |
| MDL Number | MFCD05664063 |
| SMILES | COC1=C(Br)C=CC(N)=C1 |
| Synonym | 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 |
| IUPAC Name | 4-bromo-3-methoxyaniline |
| InChI Key | RUTNWXBHRAIQSP-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |
4-(Methylsulfonyl)phenylacetic acid, 97%
CAS: 90536-66-6 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00216495 InChI Key: HGGWOSYNRVOQJH-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid PubChem CID: 572345 IUPAC Name: 2-(4-methylsulfonylphenyl)acetic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O
| PubChem CID | 572345 |
|---|---|
| CAS | 90536-66-6 |
| Molecular Weight (g/mol) | 214.235 |
| MDL Number | MFCD00216495 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O |
| Synonym | 4-methylsulfonyl phenylacetic acid,4-methylsulphonylphenylacetic acid,2-4-methylsulfonyl phenyl acetic acid,4-mesylphenylacetic acid,4-methanesulfonylphenyl acetic acid,4-methylsulfonyl phenyl acetic acid,4-methanesulfonyl phenylacetic acid,2-4-methanesulfonylphenyl acetic acid,4-methylsulfonylphenylacetic acid |
| IUPAC Name | 2-(4-methylsulfonylphenyl)acetic acid |
| InChI Key | HGGWOSYNRVOQJH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4S |
3-Fluorophenylhydrazine hydrochloride, 98%
CAS: 2924-16-5 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.592 MDL Number: MFCD00012934 InChI Key: SKVGLOFWEJFQKU-UHFFFAOYSA-N Synonym: 3-fluorophenylhydrazine hydrochloride,3-fluorophenyl hydrazine hydrochloride,3-fluorophenylhydrazine hcl,3-fluorophenyl hydrazine hcl,m-fluorophenylhydrazine hydrochloride,hydrazine, 3-fluorophenyl-, monohydrochloride,1-3-fluorophenyl hydrazine hydrochloride,3-fluoro-phenyl-hydrazine,pubchem3341,acmc-20a0dq PubChem CID: 2723914 IUPAC Name: (3-fluorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)F)NN.Cl
| PubChem CID | 2723914 |
|---|---|
| CAS | 2924-16-5 |
| Molecular Weight (g/mol) | 162.592 |
| MDL Number | MFCD00012934 |
| SMILES | C1=CC(=CC(=C1)F)NN.Cl |
| Synonym | 3-fluorophenylhydrazine hydrochloride,3-fluorophenyl hydrazine hydrochloride,3-fluorophenylhydrazine hcl,3-fluorophenyl hydrazine hcl,m-fluorophenylhydrazine hydrochloride,hydrazine, 3-fluorophenyl-, monohydrochloride,1-3-fluorophenyl hydrazine hydrochloride,3-fluoro-phenyl-hydrazine,pubchem3341,acmc-20a0dq |
| IUPAC Name | (3-fluorophenyl)hydrazine;hydrochloride |
| InChI Key | SKVGLOFWEJFQKU-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClFN2 |