Benzenoids
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(R)-(-)-4-Fluorostyrene oxide, 98+%, ee 98+%, Thermo Scientific Chemicals
CAS: 134356-73-3 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD03788740,MFCD00043994,MFCD03788740 InChI Key: ICVNPQMUUHPPOK-UHFFFAOYNA-N Synonym: r-4-fluorophenyl oxirane,r-2-4-fluorophenyl oxirane,2r-2-4-fluorophenyl oxirane,r-4-fluorostyrene oxide,r---4-fluorostyrene oxide,pubchem18166,r-4-fluorophenyl oxirane, technical gc PubChem CID: 7023123 IUPAC Name: (2R)-2-(4-fluorophenyl)oxirane SMILES: FC1=CC=C(C=C1)C1CO1
| PubChem CID | 7023123 |
|---|---|
| CAS | 134356-73-3 |
| Molecular Weight (g/mol) | 138.14 |
| MDL Number | MFCD03788740,MFCD00043994,MFCD03788740 |
| SMILES | FC1=CC=C(C=C1)C1CO1 |
| Synonym | r-4-fluorophenyl oxirane,r-2-4-fluorophenyl oxirane,2r-2-4-fluorophenyl oxirane,r-4-fluorostyrene oxide,r---4-fluorostyrene oxide,pubchem18166,r-4-fluorophenyl oxirane, technical gc |
| IUPAC Name | (2R)-2-(4-fluorophenyl)oxirane |
| InChI Key | ICVNPQMUUHPPOK-UHFFFAOYNA-N |
| Molecular Formula | C8H7FO |
2-Methyl-5-(trifluoromethoxy)benzylamine, 96%, Thermo Scientific Chemicals
CAS: 1373920-87-6 Molecular Formula: C9H10F3NO Molecular Weight (g/mol): 205.18 MDL Number: MFCD22201056 InChI Key: HUHITEUBBNSNER-UHFFFAOYSA-N Synonym: 2-methyl-5-trifluoromethoxy benzylamine,2-methyl-5-trifluoromethoxy phenyl methanamine,1-2-methyl-5-trifluoromethoxy phenyl methanamine PubChem CID: 86277657 IUPAC Name: [2-methyl-5-(trifluoromethoxy)phenyl]methanamine SMILES: CC1=C(CN)C=C(OC(F)(F)F)C=C1
| PubChem CID | 86277657 |
|---|---|
| CAS | 1373920-87-6 |
| Molecular Weight (g/mol) | 205.18 |
| MDL Number | MFCD22201056 |
| SMILES | CC1=C(CN)C=C(OC(F)(F)F)C=C1 |
| Synonym | 2-methyl-5-trifluoromethoxy benzylamine,2-methyl-5-trifluoromethoxy phenyl methanamine,1-2-methyl-5-trifluoromethoxy phenyl methanamine |
| IUPAC Name | [2-methyl-5-(trifluoromethoxy)phenyl]methanamine |
| InChI Key | HUHITEUBBNSNER-UHFFFAOYSA-N |
| Molecular Formula | C9H10F3NO |
2-Methylbenzothiazol-6-ol, 96%
CAS: 68867-18-5 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00227234 InChI Key: ROFBPPIQUBJMRO-UHFFFAOYSA-N Synonym: 2-methyl-6-benzothiazolol,2-methylbenzo d thiazol-6-ol,6-benzothiazolol, 2-methyl,2-methylbenzothiazol-6-ol,6-hydroxy-2-methylbenzothiazole,6-hydroxy-2-methylbenzthiazole,pubchem17329,2-methyl-benzothiazol-6-ol,2-methyl-6-hydroxybenzothiazole,6-hydroxy-2-methyl-benzothiazole PubChem CID: 759304 IUPAC Name: 2-methyl-1,3-benzothiazol-6-ol SMILES: CC1=NC2=CC=C(O)C=C2S1
| PubChem CID | 759304 |
|---|---|
| CAS | 68867-18-5 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00227234 |
| SMILES | CC1=NC2=CC=C(O)C=C2S1 |
| Synonym | 2-methyl-6-benzothiazolol,2-methylbenzo d thiazol-6-ol,6-benzothiazolol, 2-methyl,2-methylbenzothiazol-6-ol,6-hydroxy-2-methylbenzothiazole,6-hydroxy-2-methylbenzthiazole,pubchem17329,2-methyl-benzothiazol-6-ol,2-methyl-6-hydroxybenzothiazole,6-hydroxy-2-methyl-benzothiazole |
| IUPAC Name | 2-methyl-1,3-benzothiazol-6-ol |
| InChI Key | ROFBPPIQUBJMRO-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
Methyl 4-amino-3-nitrobenzoate, 97%
CAS: 3987-92-6 Molecular Formula: C8H8N2O4 Molecular Weight (g/mol): 196.162 MDL Number: MFCD00017562 InChI Key: HNTLUEZVPLRQEV-UHFFFAOYSA-N Synonym: methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j PubChem CID: 3941008 IUPAC Name: methyl 4-amino-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
| PubChem CID | 3941008 |
|---|---|
| CAS | 3987-92-6 |
| Molecular Weight (g/mol) | 196.162 |
| MDL Number | MFCD00017562 |
| SMILES | COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
| Synonym | methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j |
| IUPAC Name | methyl 4-amino-3-nitrobenzoate |
| InChI Key | HNTLUEZVPLRQEV-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O4 |
1,3,5-Trifluoro-2,4,6-triiodobenzene, 97%
CAS: 84322-56-5 Molecular Formula: C6F3I3 Molecular Weight (g/mol): 509.775 MDL Number: MFCD06248899 InChI Key: NTAZOPPTLZSXQH-UHFFFAOYSA-N Synonym: 1,3,5-trifluoro-2,4,6-triiodo-benzene,1,3,5-trilfluoro-2,4,6-triiodobenzene,benzene,1,3,5-trifluoro-2,4,6-triiodo,pubchem10637,1,3,5-trifluoro-2,4,1,3,5-triiodotrifluorobenzene,1,3,5-trifluoro-2,4,6-triiodob,benzene, 1,3,5-trifluoro-2,4,6-triiodo PubChem CID: 3852430 IUPAC Name: 1,3,5-trifluoro-2,4,6-triiodobenzene SMILES: C1(=C(C(=C(C(=C1I)F)I)F)I)F
| PubChem CID | 3852430 |
|---|---|
| CAS | 84322-56-5 |
| Molecular Weight (g/mol) | 509.775 |
| MDL Number | MFCD06248899 |
| SMILES | C1(=C(C(=C(C(=C1I)F)I)F)I)F |
| Synonym | 1,3,5-trifluoro-2,4,6-triiodo-benzene,1,3,5-trilfluoro-2,4,6-triiodobenzene,benzene,1,3,5-trifluoro-2,4,6-triiodo,pubchem10637,1,3,5-trifluoro-2,4,1,3,5-triiodotrifluorobenzene,1,3,5-trifluoro-2,4,6-triiodob,benzene, 1,3,5-trifluoro-2,4,6-triiodo |
| IUPAC Name | 1,3,5-trifluoro-2,4,6-triiodobenzene |
| InChI Key | NTAZOPPTLZSXQH-UHFFFAOYSA-N |
| Molecular Formula | C6F3I3 |
4-Phenoxybenzyl alcohol, 97%
CAS: 2215-78-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD01463970 InChI Key: FEOMFFKZOZMBKD-UHFFFAOYSA-N PubChem CID: 826195 IUPAC Name: (4-phenoxyphenyl)methanol SMILES: OCC1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 826195 |
|---|---|
| CAS | 2215-78-3 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD01463970 |
| SMILES | OCC1=CC=C(OC2=CC=CC=C2)C=C1 |
| IUPAC Name | (4-phenoxyphenyl)methanol |
| InChI Key | FEOMFFKZOZMBKD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
Methyl 4-chlorobenzoate, 99%
CAS: 1126-46-1 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000621 InChI Key: LXNFVVDCCWUUKC-UHFFFAOYSA-N Synonym: methyl p-chlorobenzoate,4-chlorobenzoic acid methyl ester,benzoic acid, 4-chloro-, methyl ester,unii-m0u80j80va,benzoic acid, p-chloro-, methyl ester,methyl-p-chlorobenzoate,p-chlorobenzoic acid methyl ester,methyl-4-chlorobenzoate,4-chloro-benzoic acid methyl ester,decitabine related compound d PubChem CID: 14307 IUPAC Name: methyl 4-chlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 14307 |
|---|---|
| CAS | 1126-46-1 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00000621 |
| SMILES | COC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | methyl p-chlorobenzoate,4-chlorobenzoic acid methyl ester,benzoic acid, 4-chloro-, methyl ester,unii-m0u80j80va,benzoic acid, p-chloro-, methyl ester,methyl-p-chlorobenzoate,p-chlorobenzoic acid methyl ester,methyl-4-chlorobenzoate,4-chloro-benzoic acid methyl ester,decitabine related compound d |
| IUPAC Name | methyl 4-chlorobenzoate |
| InChI Key | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
Diphenyl carbonate, 99%
CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00003037 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| MDL Number | MFCD00003037 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
4-Acetoxy-3-methoxybenzaldehyde, 98%
CAS: 881-68-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00003362 InChI Key: PZSJOBKRSVRODF-UHFFFAOYSA-N Synonym: vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin PubChem CID: 61229 ChEBI: CHEBI:86956 IUPAC Name: (4-formyl-2-methoxyphenyl) acetate SMILES: CC(=O)OC1=C(C=C(C=C1)C=O)OC
| PubChem CID | 61229 |
|---|---|
| CAS | 881-68-5 |
| Molecular Weight (g/mol) | 194.186 |
| ChEBI | CHEBI:86956 |
| MDL Number | MFCD00003362 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| Synonym | vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin |
| IUPAC Name | (4-formyl-2-methoxyphenyl) acetate |
| InChI Key | PZSJOBKRSVRODF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
2-Chloro-5-nitrobenzophenone, 98%
CAS: 34052-37-4 Molecular Formula: C13H8ClNO3 Molecular Weight (g/mol): 261.661 MDL Number: MFCD00007295 InChI Key: HRPHZUAPQWJPCZ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzophenone,2-chloro-5-nitrophenyl phenyl methanone,2-chloro-5-nitrophenyl-phenylmethanone,2-chloro-5-nitrophenyl phenyl ketone,acmc-1aifx,methanone, 2-chloro-5-nitrophenyl phenyl,5-nitro-2-chlorobenzophenone,2-chloro-5-nitro-benzophenone,hrphzuapqwjpcz-uhfffaoysa PubChem CID: 118591 IUPAC Name: (2-chloro-5-nitrophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
| PubChem CID | 118591 |
|---|---|
| CAS | 34052-37-4 |
| Molecular Weight (g/mol) | 261.661 |
| MDL Number | MFCD00007295 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| Synonym | 2-chloro-5-nitrobenzophenone,2-chloro-5-nitrophenyl phenyl methanone,2-chloro-5-nitrophenyl-phenylmethanone,2-chloro-5-nitrophenyl phenyl ketone,acmc-1aifx,methanone, 2-chloro-5-nitrophenyl phenyl,5-nitro-2-chlorobenzophenone,2-chloro-5-nitro-benzophenone,hrphzuapqwjpcz-uhfffaoysa |
| IUPAC Name | (2-chloro-5-nitrophenyl)-phenylmethanone |
| InChI Key | HRPHZUAPQWJPCZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8ClNO3 |
Guaiacol, Purified, 99%, Spectrum™ Chemical
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CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O
| CAS | 90-05-1 |
|---|---|
| Molecular Weight (g/mol) | 124.14 |
| SMILES | COC1=CC=CC=C1O |
| IUPAC Name | 2-methoxyphenol |
| InChI Key | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
ethyle2-(phenylthio)acetate, 97%, Thermo Scientific™
CAS: 7605-25-6 Molecular Formula: C10H12O2S Molecular Weight (g/mol): 196.264 MDL Number: MFCD00145107 InChI Key: SEDRTXNDGKRHBL-UHFFFAOYSA-N Synonym: ethyl phenylthio acetate,ethyl 2-phenylthio acetate,ethyl 2-phenylsulfanyl acetate,acetic acid, phenylthio-, ethyl ester,ethyl 2-phenylthioacetate,phenylthio acetic acid ethyl ester,phenylthio acetic acid, ethyl ester,ethyl phenylsulfanyl acetate,pubchem10853 PubChem CID: 97312 IUPAC Name: ethyl 2-phenylsulfanylacetate SMILES: CCOC(=O)CSC1=CC=CC=C1
| PubChem CID | 97312 |
|---|---|
| CAS | 7605-25-6 |
| Molecular Weight (g/mol) | 196.264 |
| MDL Number | MFCD00145107 |
| SMILES | CCOC(=O)CSC1=CC=CC=C1 |
| Synonym | ethyl phenylthio acetate,ethyl 2-phenylthio acetate,ethyl 2-phenylsulfanyl acetate,acetic acid, phenylthio-, ethyl ester,ethyl 2-phenylthioacetate,phenylthio acetic acid ethyl ester,phenylthio acetic acid, ethyl ester,ethyl phenylsulfanyl acetate,pubchem10853 |
| IUPAC Name | ethyl 2-phenylsulfanylacetate |
| InChI Key | SEDRTXNDGKRHBL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2S |
1-Bromo-4-n-nonylbenzene, 98%
CAS: 51554-94-0 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.25 MDL Number: MFCD00061116 InChI Key: LVCWOFRWEVUMNY-UHFFFAOYSA-N Synonym: 1-bromo-4-n-nonylbenzene,bromononylbenzene,4-nonylbromobenzene,4-n-nonylbromobenzene,4-nonylphenyl bromide,acmc-209kuh,4-bromo-1-nonylbenzene,1-bromo-4-nonylbenzene PubChem CID: 12603095 IUPAC Name: 1-bromo-4-nonylbenzene SMILES: CCCCCCCCCC1=CC=C(Br)C=C1
| PubChem CID | 12603095 |
|---|---|
| CAS | 51554-94-0 |
| Molecular Weight (g/mol) | 283.25 |
| MDL Number | MFCD00061116 |
| SMILES | CCCCCCCCCC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-n-nonylbenzene,bromononylbenzene,4-nonylbromobenzene,4-n-nonylbromobenzene,4-nonylphenyl bromide,acmc-209kuh,4-bromo-1-nonylbenzene,1-bromo-4-nonylbenzene |
| IUPAC Name | 1-bromo-4-nonylbenzene |
| InChI Key | LVCWOFRWEVUMNY-UHFFFAOYSA-N |
| Molecular Formula | C15H23Br |
4-Methoxy-2-methylbenzoic acid, 97%
CAS: 6245-57-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020291 InChI Key: MSVRGYOYISBGTH-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid PubChem CID: 597216 IUPAC Name: 4-methoxy-2-methylbenzoic acid SMILES: COC1=CC(C)=C(C=C1)C(O)=O
| PubChem CID | 597216 |
|---|---|
| CAS | 6245-57-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00020291 |
| SMILES | COC1=CC(C)=C(C=C1)C(O)=O |
| Synonym | 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid |
| IUPAC Name | 4-methoxy-2-methylbenzoic acid |
| InChI Key | MSVRGYOYISBGTH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Thermo Scientific Chemicals Efaproxiral sodium, 98%
CAS: 170787-99-2 Molecular Formula: C20H22NNaO4 Molecular Weight (g/mol): 363.38 InChI Key: SWDPIHPGORBMFR-UHFFFAOYSA-M Synonym: efaproxiral sodium,sodium 2-4-2-3,5-dimethylphenyl amino-2-oxoethyl phenoxy-2-methylpropanoate,rsr 13 sodium,unii-3l83qp52xi,rsr13 sodium,efaproxiral sodium usan,rsr-13 PubChem CID: 2725048 IUPAC Name: sodium;2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate SMILES: CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]
| PubChem CID | 2725048 |
|---|---|
| CAS | 170787-99-2 |
| Molecular Weight (g/mol) | 363.38 |
| SMILES | CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+] |
| Synonym | efaproxiral sodium,sodium 2-4-2-3,5-dimethylphenyl amino-2-oxoethyl phenoxy-2-methylpropanoate,rsr 13 sodium,unii-3l83qp52xi,rsr13 sodium,efaproxiral sodium usan,rsr-13 |
| IUPAC Name | sodium;2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate |
| InChI Key | SWDPIHPGORBMFR-UHFFFAOYSA-M |
| Molecular Formula | C20H22NNaO4 |