Benzenoids
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Benzyltrimethylammonium Tribromide 97.0+%, TCI America™
CAS: 111865-47-5 Molecular Formula: C10H17Br3N+ Molecular Weight (g/mol): 390.965 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
| PubChem CID | 86222689 |
|---|---|
| CAS | 111865-47-5 |
| Molecular Weight (g/mol) | 390.965 |
| MDL Number | MFCD00134423 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr |
| Synonym | benzyltrimethylammonium tribromide |
| IUPAC Name | benzyl(trimethyl)azanium;molecular bromine;hydrobromide |
| InChI Key | GSDDWZVWOXMLJZ-UHFFFAOYSA-N |
| Molecular Formula | C10H17Br3N+ |
Benzylamine Hydrobromide 98.0+%, TCI America™
CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br
| PubChem CID | 12998568 |
|---|---|
| CAS | 37488-40-7 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00035434 |
| SMILES | C1=CC=C(C=C1)CN.Br |
| Synonym | Benzylammonium Bromide |
| IUPAC Name | phenylmethanamine;hydrobromide |
| InChI Key | QJFMCHRSDOLMHA-UHFFFAOYSA-N |
| Molecular Formula | C7H10BrN |
4-Chlorobenzylamine 98.0+%, TCI America™
CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl
| PubChem CID | 66036 |
|---|---|
| CAS | 104-86-9 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00008121 |
| SMILES | C1=CC(=CC=C1CN)Cl |
| Synonym | 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 |
| IUPAC Name | (4-chlorophenyl)methanamine |
| InChI Key | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
Butenafine Hydrochloride 98.0+%, TCI America™
CAS: 101827-46-7 Molecular Formula: C23H28ClN Molecular Weight (g/mol): 353.934 MDL Number: MFCD00917064 InChI Key: LJBSAUIFGPSHCN-UHFFFAOYSA-N PubChem CID: 443867 ChEBI: CHEBI:31325 IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl
| PubChem CID | 443867 |
|---|---|
| CAS | 101827-46-7 |
| Molecular Weight (g/mol) | 353.934 |
| ChEBI | CHEBI:31325 |
| MDL Number | MFCD00917064 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl |
| IUPAC Name | 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride |
| InChI Key | LJBSAUIFGPSHCN-UHFFFAOYSA-N |
| Molecular Formula | C23H28ClN |
N-Butylbenzylamine 97.0+%, TCI America™
CAS: 2403-22-7 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00009427 InChI Key: HIPXPABRMMYVQD-UHFFFAOYSA-N Synonym: n-butylbenzylamine,n-benzylbutylamine,n-benzyl-n-butylamine,benzenemethanamine, n-butyl,butylbenzylamine,benzylbutylamine,benzylamine, n-butyl,benzyl butyl amine,n-n-butyl benzylamine,benzylbutylamin PubChem CID: 75467 IUPAC Name: N-benzylbutan-1-amine SMILES: CCCCNCC1=CC=CC=C1
| PubChem CID | 75467 |
|---|---|
| CAS | 2403-22-7 |
| Molecular Weight (g/mol) | 163.264 |
| MDL Number | MFCD00009427 |
| SMILES | CCCCNCC1=CC=CC=C1 |
| Synonym | n-butylbenzylamine,n-benzylbutylamine,n-benzyl-n-butylamine,benzenemethanamine, n-butyl,butylbenzylamine,benzylbutylamine,benzylamine, n-butyl,benzyl butyl amine,n-n-butyl benzylamine,benzylbutylamin |
| IUPAC Name | N-benzylbutan-1-amine |
| InChI Key | HIPXPABRMMYVQD-UHFFFAOYSA-N |
| Molecular Formula | C11H17N |
4-Methoxy-N-methylbenzylamine 98.0+%, TCI America™
CAS: 702-24-9 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD04115407 InChI Key: AIJFPNKGGAPZFJ-UHFFFAOYSA-N Synonym: 4-methoxy-n-methylbenzylamine,n-4-methoxybenzyl-n-methylamine,n-methyl-4-methoxybenzylamine,1-4-methoxyphenyl-n-methylmethanamine,4-methoxyphenyl methyl methyl amine,benzenemethanamine, 4-methoxy-n-methyl,4-methoxy-benzyl-methyl-amine,4-methoxyphenyl-n-methylmethanamine,n-methyl-p-methoxybenzylamine,1-4-methoxyphenyl-n-methyl-methanamine PubChem CID: 485407 IUPAC Name: 1-(4-methoxyphenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)OC
| PubChem CID | 485407 |
|---|---|
| CAS | 702-24-9 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD04115407 |
| SMILES | CNCC1=CC=C(C=C1)OC |
| Synonym | 4-methoxy-n-methylbenzylamine,n-4-methoxybenzyl-n-methylamine,n-methyl-4-methoxybenzylamine,1-4-methoxyphenyl-n-methylmethanamine,4-methoxyphenyl methyl methyl amine,benzenemethanamine, 4-methoxy-n-methyl,4-methoxy-benzyl-methyl-amine,4-methoxyphenyl-n-methylmethanamine,n-methyl-p-methoxybenzylamine,1-4-methoxyphenyl-n-methyl-methanamine |
| IUPAC Name | 1-(4-methoxyphenyl)-N-methylmethanamine |
| InChI Key | AIJFPNKGGAPZFJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
2,6-Dichlorobenzylamine 97.0+%, TCI America™
CAS: 6575-27-5 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00047928 InChI Key: VLVLNNQMURDGPM-UHFFFAOYSA-N PubChem CID: 485432 IUPAC Name: 1-(2,6-dichlorophenyl)methanamine SMILES: NCC1=C(Cl)C=CC=C1Cl
| PubChem CID | 485432 |
|---|---|
| CAS | 6575-27-5 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00047928 |
| SMILES | NCC1=C(Cl)C=CC=C1Cl |
| IUPAC Name | 1-(2,6-dichlorophenyl)methanamine |
| InChI Key | VLVLNNQMURDGPM-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
(4-Hydroxyphenyl)phosphonic Acid 97.0+%, TCI America™
CAS: 33795-18-5 Molecular Formula: C6H7O4P Molecular Weight (g/mol): 174.092 MDL Number: MFCD01112120 InChI Key: YIDVLWDHYNWHMH-UHFFFAOYSA-N PubChem CID: 214694 IUPAC Name: (4-hydroxyphenyl)phosphonic acid SMILES: C1=CC(=CC=C1O)P(=O)(O)O
| PubChem CID | 214694 |
|---|---|
| CAS | 33795-18-5 |
| Molecular Weight (g/mol) | 174.092 |
| MDL Number | MFCD01112120 |
| SMILES | C1=CC(=CC=C1O)P(=O)(O)O |
| IUPAC Name | (4-hydroxyphenyl)phosphonic acid |
| InChI Key | YIDVLWDHYNWHMH-UHFFFAOYSA-N |
| Molecular Formula | C6H7O4P |
4-Phenylphenol 99.0+%, TCI America™
CAS: 92-69-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00002347 InChI Key: YXVFYQXJAXKLAK-UHFFFAOYSA-N Synonym: 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol PubChem CID: 7103 ChEBI: CHEBI:34422 IUPAC Name: 4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O
| PubChem CID | 7103 |
|---|---|
| CAS | 92-69-3 |
| Molecular Weight (g/mol) | 170.211 |
| ChEBI | CHEBI:34422 |
| MDL Number | MFCD00002347 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)O |
| Synonym | 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol |
| IUPAC Name | 4-phenylphenol |
| InChI Key | YXVFYQXJAXKLAK-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |
4-Hydroxyphthalonitrile 97.0+%, TCI America™
CAS: 30757-50-7 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00191653 InChI Key: FTVOPKROFUTOKY-UHFFFAOYSA-N Synonym: 3,4-Dicyanophenol PubChem CID: 3875765 IUPAC Name: 4-hydroxybenzene-1,2-dicarbonitrile SMILES: OC1=CC(C#N)=C(C=C1)C#N
| PubChem CID | 3875765 |
|---|---|
| CAS | 30757-50-7 |
| Molecular Weight (g/mol) | 144.13 |
| MDL Number | MFCD00191653 |
| SMILES | OC1=CC(C#N)=C(C=C1)C#N |
| Synonym | 3,4-Dicyanophenol |
| IUPAC Name | 4-hydroxybenzene-1,2-dicarbonitrile |
| InChI Key | FTVOPKROFUTOKY-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O |
4-Hydroxy-3-nitrobiphenyl, TCI America™
CAS: 885-82-5 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.208 MDL Number: MFCD00014694 InChI Key: JDDNJJBXFOLPKX-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobiphenyl,3-nitrobiphenyl-4-ol,3-nitro-1,1'-biphenyl-4-ol,3-nitro 1,1'-biphenyl-4-ol,ccris 5769,2-nitro-4-phenyl-phenol,4-phenyl-2-nitrophenol,acmc-209qum,nitrophenylphenol,3-nitro-4-hydroxybiphenyl PubChem CID: 13447 IUPAC Name: 2-nitro-4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-]
| PubChem CID | 13447 |
|---|---|
| CAS | 885-82-5 |
| Molecular Weight (g/mol) | 215.208 |
| MDL Number | MFCD00014694 |
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-] |
| Synonym | 4-hydroxy-3-nitrobiphenyl,3-nitrobiphenyl-4-ol,3-nitro-1,1'-biphenyl-4-ol,3-nitro 1,1'-biphenyl-4-ol,ccris 5769,2-nitro-4-phenyl-phenol,4-phenyl-2-nitrophenol,acmc-209qum,nitrophenylphenol,3-nitro-4-hydroxybiphenyl |
| IUPAC Name | 2-nitro-4-phenylphenol |
| InChI Key | JDDNJJBXFOLPKX-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO3 |
Ethyl 4-Hydroxyphenylacetate 98.0+%, TCI America™
CAS: 17138-28-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016491 InChI Key: HYUPPKVFCGIMDB-UHFFFAOYSA-N Synonym: ethyl 4-hydroxyphenylacetate,ethyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-hydroxy-, ethyl ester,ethyl 4-hydroxyphenyl acetate,p-hydroxyphenyl acetic acid ethyl ester,ethyl p-hydroxyphenyl acetate,ethyl-4-hydroxyphenylacetate,pubchem12861,acetic acid, p-hydroxyphenyl-, ethyl ester PubChem CID: 28310 IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(O)C=C1
| PubChem CID | 28310 |
|---|---|
| CAS | 17138-28-2 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016491 |
| SMILES | CCOC(=O)CC1=CC=C(O)C=C1 |
| Synonym | ethyl 4-hydroxyphenylacetate,ethyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-hydroxy-, ethyl ester,ethyl 4-hydroxyphenyl acetate,p-hydroxyphenyl acetic acid ethyl ester,ethyl p-hydroxyphenyl acetate,ethyl-4-hydroxyphenylacetate,pubchem12861,acetic acid, p-hydroxyphenyl-, ethyl ester |
| IUPAC Name | ethyl 2-(4-hydroxyphenyl)acetate |
| InChI Key | HYUPPKVFCGIMDB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
4,4'-Diethoxybiphenyl 99.0+%, TCI America™
CAS: 7168-54-9 Molecular Formula: C16H18O2 Molecular Weight (g/mol): 242.32 MDL Number: MFCD00026801 InChI Key: WTLUUYXFCHWUJK-UHFFFAOYSA-N Synonym: 4,4′C-Biphenetol PubChem CID: 617993 IUPAC Name: 4,4'-diethoxy-1,1'-biphenyl SMILES: CCOC1=CC=C(C=C1)C1=CC=C(OCC)C=C1
| PubChem CID | 617993 |
|---|---|
| CAS | 7168-54-9 |
| Molecular Weight (g/mol) | 242.32 |
| MDL Number | MFCD00026801 |
| SMILES | CCOC1=CC=C(C=C1)C1=CC=C(OCC)C=C1 |
| Synonym | 4,4′C-Biphenetol |
| IUPAC Name | 4,4'-diethoxy-1,1'-biphenyl |
| InChI Key | WTLUUYXFCHWUJK-UHFFFAOYSA-N |
| Molecular Formula | C16H18O2 |
1,3-Bis(2-hydroxyethoxy)benzene 98.0+%, TCI America™
CAS: 102-40-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016566 InChI Key: IAXFZZHBFXRZMT-UHFFFAOYSA-N Synonym: Resorcinol Bis(beta-hydroxyethyl) Ether PubChem CID: 66885 IUPAC Name: 2-[3-(2-hydroxyethoxy)phenoxy]ethan-1-ol SMILES: OCCOC1=CC(OCCO)=CC=C1
| PubChem CID | 66885 |
|---|---|
| CAS | 102-40-9 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00016566 |
| SMILES | OCCOC1=CC(OCCO)=CC=C1 |
| Synonym | Resorcinol Bis(beta-hydroxyethyl) Ether |
| IUPAC Name | 2-[3-(2-hydroxyethoxy)phenoxy]ethan-1-ol |
| InChI Key | IAXFZZHBFXRZMT-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |