Benzene and substituted derivatives
Filtered Search Results
Ethyl 4-aminobenzoate, 98%
CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 2337 |
|---|---|
| CAS | 94-09-7 |
| Molecular Weight (g/mol) | 165.19 |
| ChEBI | CHEBI:116735 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Benzyl benzoate, 99+%
CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2345 |
|---|---|
| CAS | 120-51-4 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:41237 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Methoxybenzoic acid, 98+%
CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7478 |
|---|---|
| CAS | 100-09-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:40813 |
| MDL Number | MFCD00002542 |
| SMILES | COC1=CC=C(C=C1)C(O)=O |
| Synonym | p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer |
| IUPAC Name | 4-methoxybenzoic acid |
| InChI Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Decafluorobiphenyl, 99%
CAS: 434-90-2 Molecular Formula: C12F10 Molecular Weight (g/mol): 334.116 MDL Number: MFCD00000292 InChI Key: ONUFSRWQCKNVSL-UHFFFAOYSA-N Synonym: decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw PubChem CID: 67949 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
| PubChem CID | 67949 |
|---|---|
| CAS | 434-90-2 |
| Molecular Weight (g/mol) | 334.116 |
| MDL Number | MFCD00000292 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F |
| Synonym | decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene |
| InChI Key | ONUFSRWQCKNVSL-UHFFFAOYSA-N |
| Molecular Formula | C12F10 |
2,6-Di-tert-butylphenol, 98%
CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
| PubChem CID | 31405 |
|---|---|
| CAS | 128-39-2 |
| Molecular Weight (g/mol) | 206.33 |
| MDL Number | MFCD00008820 |
| SMILES | CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C |
| Synonym | 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 |
| IUPAC Name | 2,6-ditert-butylphenol |
| InChI Key | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |
4-(Trifluoromethyl)benzyl bromide, 98%
CAS: 402-49-3 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.035 MDL Number: MFCD00000403 InChI Key: IKSNDOVDVVPSMA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123062 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CBr)C(F)(F)F
| PubChem CID | 123062 |
|---|---|
| CAS | 402-49-3 |
| Molecular Weight (g/mol) | 239.035 |
| MDL Number | MFCD00000403 |
| SMILES | C1=CC(=CC=C1CBr)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene |
| IUPAC Name | 1-(bromomethyl)-4-(trifluoromethyl)benzene |
| InChI Key | IKSNDOVDVVPSMA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrF3 |
3,5-Dinitrobenzoic acid, 98+%
CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 7433 |
|---|---|
| CAS | 99-34-3 |
| Molecular Weight (g/mol) | 212.12 |
| ChEBI | CHEBI:73914 |
| MDL Number | MFCD00007253 |
| SMILES | OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O |
| Synonym | 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid |
| IUPAC Name | 3,5-dinitrobenzoic acid |
| InChI Key | VYWYYJYRVSBHJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O6 |
o-Tolidine dihydrochloride, 97%
CAS: 612-82-8 Molecular Formula: C14H18Cl2N2 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00012960 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Synonym: 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
| PubChem CID | 108938 |
|---|---|
| CAS | 612-82-8 |
| Molecular Weight (g/mol) | 285.212 |
| MDL Number | MFCD00012960 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl |
| Synonym | 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl |
| IUPAC Name | 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride |
| InChI Key | LUKPNZHXJRJBAN-UHFFFAOYSA-N |
| Molecular Formula | C14H18Cl2N2 |
Diphenyliodonium hexafluorophosphate, 98%
CAS: 58109-40-3 Molecular Formula: C12H10I Molecular Weight (g/mol): 281.12 MDL Number: MFCD00061398 InChI Key: OZLBDYMWFAHSOQ-UHFFFAOYSA-N Synonym: diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide PubChem CID: 2737136 IUPAC Name: diphenyliodanium SMILES: [I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2737136 |
|---|---|
| CAS | 58109-40-3 |
| Molecular Weight (g/mol) | 281.12 |
| MDL Number | MFCD00061398 |
| SMILES | [I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide |
| IUPAC Name | diphenyliodanium |
| InChI Key | OZLBDYMWFAHSOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10I |
4-Allylanisole, 98%
CAS: 140-67-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00008653 InChI Key: ZFMSMUAANRJZFM-UHFFFAOYSA-N Synonym: estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon PubChem CID: 8815 ChEBI: CHEBI:4867 IUPAC Name: 1-methoxy-4-prop-2-enylbenzene SMILES: COC1=CC=C(C=C1)CC=C
| PubChem CID | 8815 |
|---|---|
| CAS | 140-67-0 |
| Molecular Weight (g/mol) | 148.205 |
| ChEBI | CHEBI:4867 |
| MDL Number | MFCD00008653 |
| SMILES | COC1=CC=C(C=C1)CC=C |
| Synonym | estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| InChI Key | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-Isopropylphenol, 98%
CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O
| PubChem CID | 7465 |
|---|---|
| CAS | 99-89-8 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002372 |
| SMILES | CC(C)C1=CC=C(C=C1)O |
| Synonym | 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol |
| IUPAC Name | 4-propan-2-ylphenol |
| InChI Key | YQUQWHNMBPIWGK-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2,3,4,5,6-Pentafluorophenylacetic acid, 98+%
CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
| PubChem CID | 69553 |
|---|---|
| CAS | 653-21-4 |
| Molecular Weight (g/mol) | 226.102 |
| MDL Number | MFCD00004316 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| Synonym | pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid |
| IUPAC Name | 2-(2,3,4,5,6-pentafluorophenyl)acetic acid |
| InChI Key | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
4-Amino-2-methoxybenzoic acid, 97%
CAS: 2486-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00114479 InChI Key: OLJXRTRRJSMURJ-UHFFFAOYSA-N Synonym: 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 PubChem CID: 75599 IUPAC Name: 4-amino-2-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)N)C(=O)O
| PubChem CID | 75599 |
|---|---|
| CAS | 2486-80-8 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00114479 |
| SMILES | COC1=C(C=CC(=C1)N)C(=O)O |
| Synonym | 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 |
| IUPAC Name | 4-amino-2-methoxybenzoic acid |
| InChI Key | OLJXRTRRJSMURJ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
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 |
1,2-Dibromo-3,4,5,6-tetramethylbenzene, 98%
CAS: 36321-73-0 Molecular Formula: C10H12Br2 Molecular Weight (g/mol): 292.014 MDL Number: MFCD00154987 InChI Key: VEZJOZSIGSNYEB-UHFFFAOYSA-N Synonym: benzene,1,2-dibromo-3,4,5,6-tetramethyl,pubchem21478,benzene, 1,2-dibromo-3,4,5,6-tetramethyl,1,2-bis bromanyl-3,4,5,6-tetramethyl-benzene PubChem CID: 2752606 IUPAC Name: 1,2-dibromo-3,4,5,6-tetramethylbenzene SMILES: CC1=C(C(=C(C(=C1C)Br)Br)C)C
| PubChem CID | 2752606 |
|---|---|
| CAS | 36321-73-0 |
| Molecular Weight (g/mol) | 292.014 |
| MDL Number | MFCD00154987 |
| SMILES | CC1=C(C(=C(C(=C1C)Br)Br)C)C |
| Synonym | benzene,1,2-dibromo-3,4,5,6-tetramethyl,pubchem21478,benzene, 1,2-dibromo-3,4,5,6-tetramethyl,1,2-bis bromanyl-3,4,5,6-tetramethyl-benzene |
| IUPAC Name | 1,2-dibromo-3,4,5,6-tetramethylbenzene |
| InChI Key | VEZJOZSIGSNYEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12Br2 |