Benzene and substituted derivatives
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4,4'-Dimethoxydiphenylamine, 98%
CAS: 101-70-2 Molecular Formula: C14H15NO2 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00014895 InChI Key: VCOONNWIINSFBA-UHFFFAOYSA-N Synonym: bis 4-methoxyphenyl amine,4,4'-dimethoxydiphenylamine,di-p-anisylamine,di-p-methoxyphenylamine,4-methoxy-n-4-methoxyphenyl aniline,bis p-anisyl amine,bis p-methoxyphenyl amine,benzenamine, 4-methoxy-n-4-methoxyphenyl,termofleks a,bis-4-methoxy-phenyl-amine PubChem CID: 7571 IUPAC Name: 4-methoxy-N-(4-methoxyphenyl)aniline SMILES: COC1=CC=C(NC2=CC=C(OC)C=C2)C=C1
| PubChem CID | 7571 |
|---|---|
| CAS | 101-70-2 |
| Molecular Weight (g/mol) | 229.28 |
| MDL Number | MFCD00014895 |
| SMILES | COC1=CC=C(NC2=CC=C(OC)C=C2)C=C1 |
| Synonym | bis 4-methoxyphenyl amine,4,4'-dimethoxydiphenylamine,di-p-anisylamine,di-p-methoxyphenylamine,4-methoxy-n-4-methoxyphenyl aniline,bis p-anisyl amine,bis p-methoxyphenyl amine,benzenamine, 4-methoxy-n-4-methoxyphenyl,termofleks a,bis-4-methoxy-phenyl-amine |
| IUPAC Name | 4-methoxy-N-(4-methoxyphenyl)aniline |
| InChI Key | VCOONNWIINSFBA-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO2 |
4-Bromo-2-fluorobenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 188582-62-9 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143265 InChI Key: BWBJZMQPVBWEJU-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg PubChem CID: 2734027 IUPAC Name: (4-bromo-2-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1Br)F)CO
| PubChem CID | 2734027 |
|---|---|
| CAS | 188582-62-9 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD00143265 |
| SMILES | C1=CC(=C(C=C1Br)F)CO |
| Synonym | 4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg |
| IUPAC Name | (4-bromo-2-fluorophenyl)methanol |
| InChI Key | BWBJZMQPVBWEJU-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
(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 |
2,5-Dimethoxybenzyl alcohol, 99%
CAS: 33524-31-1 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004615 InChI Key: WGQMUABRZGUAOS-UHFFFAOYSA-N Synonym: 2,5-dimethoxybenzyl alcohol,2,5-dimethoxyphenyl methanol,benzenemethanol, 2,5-dimethoxy,acmc-1ckmt,2,5-dimethoxybenzylalcohol,2,5-dimethoxylbenzylalcohol,benzenemethanol,2,5-dimethoxy,2,5-dimethoxyphenyl-methanol,wgqmuabrzguaos-uhfffaoysa,2,5-dimethoxyphenyl methanol # PubChem CID: 118495 IUPAC Name: (2,5-dimethoxyphenyl)methanol SMILES: COC1=CC(=C(C=C1)OC)CO
| PubChem CID | 118495 |
|---|---|
| CAS | 33524-31-1 |
| Molecular Weight (g/mol) | 168.19 |
| MDL Number | MFCD00004615 |
| SMILES | COC1=CC(=C(C=C1)OC)CO |
| Synonym | 2,5-dimethoxybenzyl alcohol,2,5-dimethoxyphenyl methanol,benzenemethanol, 2,5-dimethoxy,acmc-1ckmt,2,5-dimethoxybenzylalcohol,2,5-dimethoxylbenzylalcohol,benzenemethanol,2,5-dimethoxy,2,5-dimethoxyphenyl-methanol,wgqmuabrzguaos-uhfffaoysa,2,5-dimethoxyphenyl methanol # |
| IUPAC Name | (2,5-dimethoxyphenyl)methanol |
| InChI Key | WGQMUABRZGUAOS-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
3,5-Dimethoxybenzyl alcohol, 99%
CAS: 705-76-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004641 InChI Key: AUDBREYGQOXIFT-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol PubChem CID: 69718 IUPAC Name: (3,5-dimethoxyphenyl)methanol SMILES: COC1=CC(OC)=CC(CO)=C1
| PubChem CID | 69718 |
|---|---|
| CAS | 705-76-0 |
| Molecular Weight (g/mol) | 168.19 |
| MDL Number | MFCD00004641 |
| SMILES | COC1=CC(OC)=CC(CO)=C1 |
| Synonym | 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol |
| IUPAC Name | (3,5-dimethoxyphenyl)methanol |
| InChI Key | AUDBREYGQOXIFT-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
2,5-Difluorobenzaldehyde, 98%
CAS: 2646-90-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.11 MDL Number: MFCD00010327 InChI Key: VVVOJODFBWBNBI-UHFFFAOYSA-N Synonym: 2,5-difluoro benzaldehyde,2,5-difluoro-benzaldehyde,2,5-difluorobenzaldehyde,benzaldehyde, 2,5-difluoro,timtec-bb sbb006570,2,5-difluorobenzalde,pubchem1437,2,5-fluorobenzaldehyde,2,5 difluorobenzaldehyde,acmc-1cq4a PubChem CID: 137663 IUPAC Name: 2,5-difluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)F
| PubChem CID | 137663 |
|---|---|
| CAS | 2646-90-4 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00010327 |
| SMILES | C1=CC(=C(C=C1F)C=O)F |
| Synonym | 2,5-difluoro benzaldehyde,2,5-difluoro-benzaldehyde,2,5-difluorobenzaldehyde,benzaldehyde, 2,5-difluoro,timtec-bb sbb006570,2,5-difluorobenzalde,pubchem1437,2,5-fluorobenzaldehyde,2,5 difluorobenzaldehyde,acmc-1cq4a |
| IUPAC Name | 2,5-difluorobenzaldehyde |
| InChI Key | VVVOJODFBWBNBI-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™
CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 519683 |
|---|---|
| CAS | 1975-52-6 |
| Molecular Weight (g/mol) | 181.15 |
| MDL Number | MFCD00007371 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 |
| InChI Key | DJRFJAVPROZZFL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Terephthaldehyde monodiethylacetal, 97%, stabilized
CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1
| PubChem CID | 595993 |
|---|---|
| CAS | 81172-89-6 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00010217 |
| SMILES | CCOC(OCC)C1=CC=C(C=O)C=C1 |
| Synonym | 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde |
| IUPAC Name | 4-(diethoxymethyl)benzaldehyde |
| InChI Key | HTMXMFARWHNJDW-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
1,2-Benzenedimethanol, 97%
CAS: 612-14-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004626 InChI Key: XMUZQOKACOLCSS-UHFFFAOYSA-N Synonym: 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol PubChem CID: 69153 IUPAC Name: [2-(hydroxymethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1CO
| PubChem CID | 69153 |
|---|---|
| CAS | 612-14-6 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00004626 |
| SMILES | OCC1=CC=CC=C1CO |
| Synonym | 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol |
| IUPAC Name | [2-(hydroxymethyl)phenyl]methanol |
| InChI Key | XMUZQOKACOLCSS-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Methyl 4-hydroxybenzoate, sodium salt, 99%, Thermo Scientific Chemicals
CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 MDL Number: MFCD00016470 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M Synonym: methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk PubChem CID: 23663626 IUPAC Name: sodium;4-methoxycarbonylphenolate SMILES: COC(=O)C1=CC=C(C=C1)[O-].[Na+]
| PubChem CID | 23663626 |
|---|---|
| CAS | 5026-62-0 |
| Molecular Weight (g/mol) | 174.13 |
| MDL Number | MFCD00016470 |
| SMILES | COC(=O)C1=CC=C(C=C1)[O-].[Na+] |
| Synonym | methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk |
| IUPAC Name | sodium;4-methoxycarbonylphenolate |
| InChI Key | PESXGULMKCKJCC-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
5-Nitrosalicylic acid, 99%
CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
| PubChem CID | 7318 |
|---|---|
| CAS | 96-97-9 |
| Molecular Weight (g/mol) | 183.12 |
| ChEBI | CHEBI:61281 |
| MDL Number | MFCD00007338 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O |
| Synonym | 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid |
| InChI Key | PPDRLQLKHRZIJC-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5 |
3-Bromophenyl isocyanate, 97%
CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O
| PubChem CID | 141001 |
|---|---|
| CAS | 23138-55-8 |
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002014 |
| SMILES | BrC1=CC=CC(=C1)N=C=O |
| Synonym | 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f |
| IUPAC Name | 1-bromo-3-isocyanatobenzene |
| InChI Key | VQVBCZQTXSHJGF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
3-(Trifluoromethyl)benzylamine, 98%
CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN
| PubChem CID | 75962 |
|---|---|
| CAS | 2740-83-2 |
| Molecular Weight (g/mol) | 175.15 |
| MDL Number | MFCD00008117 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN |
| Synonym | 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine |
| IUPAC Name | [3-(trifluoromethyl)phenyl]methanamine |
| InChI Key | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |
Aminodiphenylmethane, 97%
CAS: 91-00-9 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00008059 InChI Key: MGHPNCMVUAKAIE-UHFFFAOYSA-N Synonym: aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine PubChem CID: 7036 IUPAC Name: diphenylmethanamine SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N
| PubChem CID | 7036 |
|---|---|
| CAS | 91-00-9 |
| Molecular Weight (g/mol) | 183.25 |
| MDL Number | MFCD00008059 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N |
| Synonym | aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine |
| IUPAC Name | diphenylmethanamine |
| InChI Key | MGHPNCMVUAKAIE-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |