Benzene and substituted derivatives
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1-Bromo-2,3,4-trifluorobenzene 98.0+%, TCI America™
CAS: 176317-02-5 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.981 MDL Number: MFCD00013248 InChI Key: MUUAQFJJUGVBGB-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobromobenzene,2,3,4-trifluoro bromobenzene,benzene, 1-bromo-2,3,4-trifluoro,1-bromo-2,3,4-trifluoro-benzene,trifluorobromobenzene,pubchem7089,trifluorophenyl bromide,fr bf cf de,acmc-209eb9,ksc497i1f PubChem CID: 2733255 IUPAC Name: 1-bromo-2,3,4-trifluorobenzene SMILES: C1=CC(=C(C(=C1F)F)F)Br
| PubChem CID | 2733255 |
|---|---|
| CAS | 176317-02-5 |
| Molecular Weight (g/mol) | 210.981 |
| MDL Number | MFCD00013248 |
| SMILES | C1=CC(=C(C(=C1F)F)F)Br |
| Synonym | 2,3,4-trifluorobromobenzene,2,3,4-trifluoro bromobenzene,benzene, 1-bromo-2,3,4-trifluoro,1-bromo-2,3,4-trifluoro-benzene,trifluorobromobenzene,pubchem7089,trifluorophenyl bromide,fr bf cf de,acmc-209eb9,ksc497i1f |
| IUPAC Name | 1-bromo-2,3,4-trifluorobenzene |
| InChI Key | MUUAQFJJUGVBGB-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF3 |
2,4-Di-tert-amylphenol 98.0+%, TCI America™
CAS: 120-95-6 Molecular Formula: C16H26O Molecular Weight (g/mol): 234.38 MDL Number: MFCD00041929 InChI Key: WMVJWKURWRGJCI-UHFFFAOYSA-N Synonym: 2,4-di-tert-pentylphenol,2,4-di-tert-amylphenol,2,4-di-t-pentylphenol,2,4-bis 1,1-dimethylpropyl phenol,phenol, 2,4-bis 1,1-dimethylpropyl,di-tert-amylphenol,prodox 156,phenol, 2,4-di-tert-pentyl,2,4-bis 2-methylbutan-2-yl phenol,unii-852f1hp88h PubChem CID: 8455 IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(O)C(=C1)C(C)(C)CC
| PubChem CID | 8455 |
|---|---|
| CAS | 120-95-6 |
| Molecular Weight (g/mol) | 234.38 |
| MDL Number | MFCD00041929 |
| SMILES | CCC(C)(C)C1=CC=C(O)C(=C1)C(C)(C)CC |
| Synonym | 2,4-di-tert-pentylphenol,2,4-di-tert-amylphenol,2,4-di-t-pentylphenol,2,4-bis 1,1-dimethylpropyl phenol,phenol, 2,4-bis 1,1-dimethylpropyl,di-tert-amylphenol,prodox 156,phenol, 2,4-di-tert-pentyl,2,4-bis 2-methylbutan-2-yl phenol,unii-852f1hp88h |
| IUPAC Name | 2,4-bis(2-methylbutan-2-yl)phenol |
| InChI Key | WMVJWKURWRGJCI-UHFFFAOYSA-N |
| Molecular Formula | C16H26O |
2-Amino-4'-chlorobiphenyl 98.0+%, TCI America™
CAS: 1204-44-0 Molecular Formula: C12H10ClN Molecular Weight (g/mol): 203.669 MDL Number: MFCD03424659 InChI Key: JPBWZIPCMDZOPM-UHFFFAOYSA-N Synonym: 4′-Chloro-[1,1′-biphenyl]-2-amine PubChem CID: 262261 IUPAC Name: 2-(4-chlorophenyl)aniline SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N
| PubChem CID | 262261 |
|---|---|
| CAS | 1204-44-0 |
| Molecular Weight (g/mol) | 203.669 |
| MDL Number | MFCD03424659 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N |
| Synonym | 4′-Chloro-[1,1′-biphenyl]-2-amine |
| IUPAC Name | 2-(4-chlorophenyl)aniline |
| InChI Key | JPBWZIPCMDZOPM-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClN |
1,3,5-Tri-tert-butylbenzene 98.0+%, TCI America™
CAS: 1460-02-2 Molecular Formula: C18H30 Molecular Weight (g/mol): 246.438 MDL Number: MFCD00008831 InChI Key: GUFMBISUSZUUCB-UHFFFAOYSA-N Synonym: 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l PubChem CID: 15089 IUPAC Name: 1,3,5-tritert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
| PubChem CID | 15089 |
|---|---|
| CAS | 1460-02-2 |
| Molecular Weight (g/mol) | 246.438 |
| MDL Number | MFCD00008831 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| Synonym | 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l |
| IUPAC Name | 1,3,5-tritert-butylbenzene |
| InChI Key | GUFMBISUSZUUCB-UHFFFAOYSA-N |
| Molecular Formula | C18H30 |
N-(4-Methoxybenzylidene)-4-hydroxyaniline 98.0+%, TCI America™
CAS: 3230-39-5 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.263 MDL Number: MFCD00037176 InChI Key: YONXPYGTYHMKDH-UHFFFAOYSA-N Synonym: N-(p-Anisal)-4-hydroxyaniline, N-(p-Anisylidene)-4-hydroxyaniline, 4-[(4-Methoxybenzylidene)amino]phenol PubChem CID: 97286 IUPAC Name: 4-[(4-methoxyphenyl)methylideneamino]phenol SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O
| PubChem CID | 97286 |
|---|---|
| CAS | 3230-39-5 |
| Molecular Weight (g/mol) | 227.263 |
| MDL Number | MFCD00037176 |
| SMILES | COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O |
| Synonym | N-(p-Anisal)-4-hydroxyaniline, N-(p-Anisylidene)-4-hydroxyaniline, 4-[(4-Methoxybenzylidene)amino]phenol |
| IUPAC Name | 4-[(4-methoxyphenyl)methylideneamino]phenol |
| InChI Key | YONXPYGTYHMKDH-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO2 |
2-Hydroxy-3-methoxybenzyl Alcohol 98.0+%, TCI America™
CAS: 4383-05-5 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00008362 InChI Key: OSZHSESNQIMXMZ-UHFFFAOYSA-N Synonym: 2-(Hydroxymethyl)-6-methoxyphenol, 2-Hydroxy-3-(hydroxymethyl)anisole PubChem CID: 78088 IUPAC Name: 2-(hydroxymethyl)-6-methoxyphenol SMILES: COC1=CC=CC(=C1O)CO
| PubChem CID | 78088 |
|---|---|
| CAS | 4383-05-5 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00008362 |
| SMILES | COC1=CC=CC(=C1O)CO |
| Synonym | 2-(Hydroxymethyl)-6-methoxyphenol, 2-Hydroxy-3-(hydroxymethyl)anisole |
| IUPAC Name | 2-(hydroxymethyl)-6-methoxyphenol |
| InChI Key | OSZHSESNQIMXMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
3-Methyl-4-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 18370 |
|---|---|
| CAS | 3113-71-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007168 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChI Key | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
m-Cymene 99.0+%, TCI America™
CAS: 535-77-3 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008891 InChI Key: XCYJPXQACVEIOS-UHFFFAOYSA-N Synonym: m-cymene,1-isopropyl-3-methylbenzene,3-isopropyltoluene,m-isopropyltoluene,m-cymol,m-methylisopropylbenzene,beta-cymene,benzene, 1-methyl-3-1-methylethyl,1-methyl-3-isopropylbenzene,1-methyl-3-1-methylethyl benzene PubChem CID: 10812 IUPAC Name: 1-methyl-3-(propan-2-yl)benzene SMILES: CC(C)C1=CC=CC(C)=C1
| PubChem CID | 10812 |
|---|---|
| CAS | 535-77-3 |
| Molecular Weight (g/mol) | 134.22 |
| MDL Number | MFCD00008891 |
| SMILES | CC(C)C1=CC=CC(C)=C1 |
| Synonym | m-cymene,1-isopropyl-3-methylbenzene,3-isopropyltoluene,m-isopropyltoluene,m-cymol,m-methylisopropylbenzene,beta-cymene,benzene, 1-methyl-3-1-methylethyl,1-methyl-3-isopropylbenzene,1-methyl-3-1-methylethyl benzene |
| IUPAC Name | 1-methyl-3-(propan-2-yl)benzene |
| InChI Key | XCYJPXQACVEIOS-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
4-Methyl-3-(trifluoromethyl)aniline 98.0+%, TCI America™
CAS: 65934-74-9 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD01631582 InChI Key: JBCDCYFEJQHTTA-UHFFFAOYSA-N Synonym: 4-methyl-3-trifluoromethyl aniline,5-amino-2-methylbenzotrifluoride,3-trifluoromethyl-4-methylaniline,benzenamine, 4-methyl-3-trifluoromethyl,4-methyl-5-trifluoromethyl aniline,4-methyl-3-trifluoromethyl-phenylamine,4-methyl-5-trifluoromethylaniline,3-trifluoromethyl-p-toluidine,4-methyl-3-trifluoromethyl phenylamine PubChem CID: 2737715 IUPAC Name: 4-methyl-3-(trifluoromethyl)aniline SMILES: CC1=C(C=C(C=C1)N)C(F)(F)F
| PubChem CID | 2737715 |
|---|---|
| CAS | 65934-74-9 |
| Molecular Weight (g/mol) | 175.154 |
| MDL Number | MFCD01631582 |
| SMILES | CC1=C(C=C(C=C1)N)C(F)(F)F |
| Synonym | 4-methyl-3-trifluoromethyl aniline,5-amino-2-methylbenzotrifluoride,3-trifluoromethyl-4-methylaniline,benzenamine, 4-methyl-3-trifluoromethyl,4-methyl-5-trifluoromethyl aniline,4-methyl-3-trifluoromethyl-phenylamine,4-methyl-5-trifluoromethylaniline,3-trifluoromethyl-p-toluidine,4-methyl-3-trifluoromethyl phenylamine |
| IUPAC Name | 4-methyl-3-(trifluoromethyl)aniline |
| InChI Key | JBCDCYFEJQHTTA-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |
2-Methoxyphenethyl Alcohol 98.0+%, TCI America™
CAS: 7417-18-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002889 InChI Key: XLDRDNQLEMMNNH-UHFFFAOYSA-N Synonym: 2-(2-Hydroxyethyl)anisole, 2-(2-Methoxyphenyl)ethanol PubChem CID: 81909 IUPAC Name: 2-(2-methoxyphenyl)ethan-1-ol SMILES: COC1=CC=CC=C1CCO
| PubChem CID | 81909 |
|---|---|
| CAS | 7417-18-7 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002889 |
| SMILES | COC1=CC=CC=C1CCO |
| Synonym | 2-(2-Hydroxyethyl)anisole, 2-(2-Methoxyphenyl)ethanol |
| IUPAC Name | 2-(2-methoxyphenyl)ethan-1-ol |
| InChI Key | XLDRDNQLEMMNNH-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3-Bromo-5-nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 630125-49-4 Molecular Formula: C7H3BrF3NO2 Molecular Weight (g/mol): 270.01 MDL Number: MFCD03788719 InChI Key: YHTVYRKVFAFVLP-UHFFFAOYSA-N Synonym: 3-bromo-5-nitrobenzotrifluoride,1-bromo-3-nitro-5-trifluoromethyl benzene,3-bromo-5-trifluoromethylnitrobenzene,3-nitro-5-bromobenzotrifluoride,benzene, 1-bromo-3-nitro-5-trifluoromethyl,5-bromo-3-trifluoromethyl nitrobenzene,1-bromo-3-nitro-5-trifluoromethyl-benzene,3-bromo-5-nitrotrifluorotoluene,3-bromo-1-nitro-5-trifluoromethyl benzene,zlchem 416 PubChem CID: 7015411 IUPAC Name: 1-bromo-3-nitro-5-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(Br)=CC(=C1)C(F)(F)F
| PubChem CID | 7015411 |
|---|---|
| CAS | 630125-49-4 |
| Molecular Weight (g/mol) | 270.01 |
| MDL Number | MFCD03788719 |
| SMILES | [O-][N+](=O)C1=CC(Br)=CC(=C1)C(F)(F)F |
| Synonym | 3-bromo-5-nitrobenzotrifluoride,1-bromo-3-nitro-5-trifluoromethyl benzene,3-bromo-5-trifluoromethylnitrobenzene,3-nitro-5-bromobenzotrifluoride,benzene, 1-bromo-3-nitro-5-trifluoromethyl,5-bromo-3-trifluoromethyl nitrobenzene,1-bromo-3-nitro-5-trifluoromethyl-benzene,3-bromo-5-nitrotrifluorotoluene,3-bromo-1-nitro-5-trifluoromethyl benzene,zlchem 416 |
| IUPAC Name | 1-bromo-3-nitro-5-(trifluoromethyl)benzene |
| InChI Key | YHTVYRKVFAFVLP-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF3NO2 |
Isoproturon 98.0+%, TCI America™
CAS: 34123-59-6 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD00078684 InChI Key: PUIYMUZLKQOUOZ-UHFFFAOYSA-N Synonym: isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo PubChem CID: 36679 ChEBI: CHEBI:6049 IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
| PubChem CID | 36679 |
|---|---|
| CAS | 34123-59-6 |
| Molecular Weight (g/mol) | 206.289 |
| ChEBI | CHEBI:6049 |
| MDL Number | MFCD00078684 |
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)N(C)C |
| Synonym | isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo |
| IUPAC Name | 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea |
| InChI Key | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O |
2-Hydroxy-4-n-octyloxybenzophenone 98.0+%, TCI America™
CAS: 1843-05-6 Molecular Formula: C21H26O3 Molecular Weight (g/mol): 326.436 MDL Number: MFCD00027327 InChI Key: QUAMTGJKVDWJEQ-UHFFFAOYSA-N Synonym: octabenzone,2-hydroxy-4-n-octyloxybenzophenone,benzophenone-12,2-hydroxy-4-octyloxy phenyl phenyl methanone,benzon oo,2-hydroxy-4-octyloxy benzophenone,benzophenone 12,cyasorb uv 531,spectra-sorb uv 531,sumisorb 130 PubChem CID: 15797 IUPAC Name: (2-hydroxy-4-octoxyphenyl)-phenylmethanone SMILES: CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
| PubChem CID | 15797 |
|---|---|
| CAS | 1843-05-6 |
| Molecular Weight (g/mol) | 326.436 |
| MDL Number | MFCD00027327 |
| SMILES | CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O |
| Synonym | octabenzone,2-hydroxy-4-n-octyloxybenzophenone,benzophenone-12,2-hydroxy-4-octyloxy phenyl phenyl methanone,benzon oo,2-hydroxy-4-octyloxy benzophenone,benzophenone 12,cyasorb uv 531,spectra-sorb uv 531,sumisorb 130 |
| IUPAC Name | (2-hydroxy-4-octoxyphenyl)-phenylmethanone |
| InChI Key | QUAMTGJKVDWJEQ-UHFFFAOYSA-N |
| Molecular Formula | C21H26O3 |
2-Hydroxybenzotrifluoride 98.0+%, TCI America™
CAS: 444-30-4 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002222 InChI Key: ZOQOPXVJANRGJZ-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenol,2-hydroxybenzotrifluoride,o-trifluoromethylphenol,o-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-o-cresol,phenol, 2-trifluoromethyl,o-trifluoromethoxy phenol,a,a,a-trifluoro-o-cresol,2-hydroxy-alpha,alpha,alpha-trifluorotoluene PubChem CID: 67958 IUPAC Name: 2-(trifluoromethyl)phenol SMILES: C1=CC=C(C(=C1)C(F)(F)F)O
| PubChem CID | 67958 |
|---|---|
| CAS | 444-30-4 |
| Molecular Weight (g/mol) | 162.111 |
| MDL Number | MFCD00002222 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)O |
| Synonym | 2-trifluoromethyl phenol,2-hydroxybenzotrifluoride,o-trifluoromethylphenol,o-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-o-cresol,phenol, 2-trifluoromethyl,o-trifluoromethoxy phenol,a,a,a-trifluoro-o-cresol,2-hydroxy-alpha,alpha,alpha-trifluorotoluene |
| IUPAC Name | 2-(trifluoromethyl)phenol |
| InChI Key | ZOQOPXVJANRGJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O |
4-Fluorophenylhydrazine Hydrochloride 97.0+%, TCI America™
CAS: 823-85-8 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.59 MDL Number: MFCD00012942 InChI Key: FEKUXLUOKFSMRO-UHFFFAOYSA-N Synonym: 4-fluorophenylhydrazine hydrochloride,4-fluorophenyl hydrazine hydrochloride,4-fluorophenylhydrazine hcl,1-4-fluorophenyl hydrazine hydrochloride,4-fluorophenyl hydrazine hcl,p-fluorophenylhydrazine hydrochloride,4-fluorphenyl hydrazine hydrochloride,4-fluorophenyl hydrazine monohydrochloride,p-fluorophenylhydrazine hcl,hydrazine, 4-fluorophenyl-, monohydrochloride PubChem CID: 69981 IUPAC Name: hydrogen (4-fluorophenyl)hydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=C(F)C=C1
| PubChem CID | 69981 |
|---|---|
| CAS | 823-85-8 |
| Molecular Weight (g/mol) | 162.59 |
| MDL Number | MFCD00012942 |
| SMILES | [H+].[Cl-].NNC1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenylhydrazine hydrochloride,4-fluorophenyl hydrazine hydrochloride,4-fluorophenylhydrazine hcl,1-4-fluorophenyl hydrazine hydrochloride,4-fluorophenyl hydrazine hcl,p-fluorophenylhydrazine hydrochloride,4-fluorphenyl hydrazine hydrochloride,4-fluorophenyl hydrazine monohydrochloride,p-fluorophenylhydrazine hcl,hydrazine, 4-fluorophenyl-, monohydrochloride |
| IUPAC Name | hydrogen (4-fluorophenyl)hydrazine chloride |
| InChI Key | FEKUXLUOKFSMRO-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClFN2 |