Benzene and substituted derivatives
Filtered Search Results
Methyl 3,4-dihydroxybenzoate, 97%
CAS: 2150-43-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016437 InChI Key: CUFLZUDASVUNOE-UHFFFAOYSA-N Synonym: methyl protocatechuate,protocatechuic acid, methyl ester,3,4-dihydroxybenzoic acid methyl ester,protocatechuic acid methyl ester,benzoic acid, 3,4-dihydroxy-, methyl ester,3,4-dihydroxymethylbenzoate,3,4-dihydroxybenzoic acid methyl,mdhb,methyl 3,4-dihydroxy,acmc-1cfbz PubChem CID: 287064 IUPAC Name: methyl 3,4-dihydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C(O)=C1
| PubChem CID | 287064 |
|---|---|
| CAS | 2150-43-8 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016437 |
| SMILES | COC(=O)C1=CC=C(O)C(O)=C1 |
| Synonym | methyl protocatechuate,protocatechuic acid, methyl ester,3,4-dihydroxybenzoic acid methyl ester,protocatechuic acid methyl ester,benzoic acid, 3,4-dihydroxy-, methyl ester,3,4-dihydroxymethylbenzoate,3,4-dihydroxybenzoic acid methyl,mdhb,methyl 3,4-dihydroxy,acmc-1cfbz |
| IUPAC Name | methyl 3,4-dihydroxybenzoate |
| InChI Key | CUFLZUDASVUNOE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2-Bromo-4-fluoro-6-(trifluoromethyl)aniline, 98%
CAS: 875664-27-0 Molecular Formula: C7H4BrF4N Molecular Weight (g/mol): 258.014 MDL Number: MFCD04973756 InChI Key: OTYCOVZULSPPPW-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoro-6-trifluoromethyl aniline,2-amino-3-bromo-5-fluorobenzotrifluoride,buttpark 154\11-38,benzenamine,2-bromo-4-fluoro-6-trifluoromethyl,2-bromo-4-fluoro-6-trifluoromethyl benzenamine,pubchem19869,ksc658m8n,2-bromo-4-fluoro-6-trifluoromethyl phenylamine,6-bromo-4-fluoro-2-trifluoromethyl phenylamine,2-bromanyl-4-fluoranyl-6-trifluoromethyl aniline PubChem CID: 7018045 IUPAC Name: 2-bromo-4-fluoro-6-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1Br)N)C(F)(F)F)F
| PubChem CID | 7018045 |
|---|---|
| CAS | 875664-27-0 |
| Molecular Weight (g/mol) | 258.014 |
| MDL Number | MFCD04973756 |
| SMILES | C1=C(C=C(C(=C1Br)N)C(F)(F)F)F |
| Synonym | 2-bromo-4-fluoro-6-trifluoromethyl aniline,2-amino-3-bromo-5-fluorobenzotrifluoride,buttpark 154\11-38,benzenamine,2-bromo-4-fluoro-6-trifluoromethyl,2-bromo-4-fluoro-6-trifluoromethyl benzenamine,pubchem19869,ksc658m8n,2-bromo-4-fluoro-6-trifluoromethyl phenylamine,6-bromo-4-fluoro-2-trifluoromethyl phenylamine,2-bromanyl-4-fluoranyl-6-trifluoromethyl aniline |
| IUPAC Name | 2-bromo-4-fluoro-6-(trifluoromethyl)aniline |
| InChI Key | OTYCOVZULSPPPW-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF4N |
3-Methyl-4-nitrobenzonitrile, 97%
CAS: 96784-54-2 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00017615 InChI Key: IHVNKSXTJZNBQA-UHFFFAOYSA-N Synonym: benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa PubChem CID: 2801434 IUPAC Name: 3-methyl-4-nitrobenzonitrile SMILES: CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]
| PubChem CID | 2801434 |
|---|---|
| CAS | 96784-54-2 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00017615 |
| SMILES | CC1=C(C=CC(=C1)C#N)[N+](=O)[O-] |
| Synonym | benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa |
| IUPAC Name | 3-methyl-4-nitrobenzonitrile |
| InChI Key | IHVNKSXTJZNBQA-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
3-Methoxy-4-methylaniline, 99+%
CAS: 16452-01-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00025371 InChI Key: ONADZNBSLRAJFW-UHFFFAOYSA-N Synonym: o-cresidine,benzenamine, 3-methoxy-4-methyl,3-methoxy-4-methyl aniline,ccris 4606,unii-v82scc5x3q,5-amino-2-methylanisole,5-amino-2-methyl-anisol,2-methoxy-4-aminotoluene,3-methoxy-4-methyl-aniline,v82scc5x3q PubChem CID: 27882 IUPAC Name: 3-methoxy-4-methylaniline SMILES: COC1=CC(N)=CC=C1C
| PubChem CID | 27882 |
|---|---|
| CAS | 16452-01-0 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00025371 |
| SMILES | COC1=CC(N)=CC=C1C |
| Synonym | o-cresidine,benzenamine, 3-methoxy-4-methyl,3-methoxy-4-methyl aniline,ccris 4606,unii-v82scc5x3q,5-amino-2-methylanisole,5-amino-2-methyl-anisol,2-methoxy-4-aminotoluene,3-methoxy-4-methyl-aniline,v82scc5x3q |
| IUPAC Name | 3-methoxy-4-methylaniline |
| InChI Key | ONADZNBSLRAJFW-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Phenoxybenzeneboronic acid, 98%
CAS: 108238-09-1 Molecular Formula: C12H11BO3 Molecular Weight (g/mol): 214.03 MDL Number: MFCD01001592 InChI Key: AVOWPOFIQZSVGV-UHFFFAOYSA-N Synonym: 2-phenoxybenzeneboronic acid,2-phenoxyphenyl boronic acid,2-phenoxyphenyl boranediol,2-phenoxy phenylboronic acid,boronic acid, 2-phenoxyphenyl,pubchem9521,acmc-1bnrk,ksc174e3r,2-phenoxy-phenyl boronic acid,2-phenoxyphenylboronicacid PubChem CID: 2773559 IUPAC Name: (2-phenoxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 2773559 |
|---|---|
| CAS | 108238-09-1 |
| Molecular Weight (g/mol) | 214.03 |
| MDL Number | MFCD01001592 |
| SMILES | OB(O)C1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | 2-phenoxybenzeneboronic acid,2-phenoxyphenyl boronic acid,2-phenoxyphenyl boranediol,2-phenoxy phenylboronic acid,boronic acid, 2-phenoxyphenyl,pubchem9521,acmc-1bnrk,ksc174e3r,2-phenoxy-phenyl boronic acid,2-phenoxyphenylboronicacid |
| IUPAC Name | (2-phenoxyphenyl)boronic acid |
| InChI Key | AVOWPOFIQZSVGV-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO3 |
2-Bromobenzoic acid, 98%
CAS: 88-65-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002402 InChI Key: XRXMNWGCKISMOH-UHFFFAOYSA-N Synonym: o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 PubChem CID: 6940 IUPAC Name: 2-bromobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Br
| PubChem CID | 6940 |
|---|---|
| CAS | 88-65-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD00002402 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)Br |
| Synonym | o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 |
| IUPAC Name | 2-bromobenzoic acid |
| InChI Key | XRXMNWGCKISMOH-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
4-Hydroxyphenoxyacetic acid, 98+%
CAS: 1878-84-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00014362 InChI Key: PKGWLCZTTHWKIZ-UHFFFAOYSA-N Synonym: 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol PubChem CID: 15881 ChEBI: CHEBI:1881 IUPAC Name: 2-(4-hydroxyphenoxy)acetic acid SMILES: C1=CC(=CC=C1O)OCC(=O)O
| PubChem CID | 15881 |
|---|---|
| CAS | 1878-84-8 |
| Molecular Weight (g/mol) | 168.148 |
| ChEBI | CHEBI:1881 |
| MDL Number | MFCD00014362 |
| SMILES | C1=CC(=CC=C1O)OCC(=O)O |
| Synonym | 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol |
| IUPAC Name | 2-(4-hydroxyphenoxy)acetic acid |
| InChI Key | PKGWLCZTTHWKIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2-Bromobenzyl alcohol, 98%
CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br
| PubChem CID | 72850 |
|---|---|
| CAS | 18982-54-2 |
| Molecular Weight (g/mol) | 187.04 |
| MDL Number | MFCD00004600 |
| SMILES | OCC1=CC=CC=C1Br |
| Synonym | 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 |
| IUPAC Name | (2-bromophenyl)methanol |
| InChI Key | IOWGHQGLUMEZKG-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
4-Benzyloxy-2-fluorobenzoic acid, 98%
CAS: 114045-96-4 Molecular Formula: C14H11FO3 Molecular Weight (g/mol): 246.24 MDL Number: MFCD12407082 InChI Key: HWQRXVRKZFDKLJ-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-fluorobenzoic acid,benzoic acid, 2-fluoro-4-phenylmethoxy,acmc-20mjm1,2-fluoro-4-benzyloxybenzoic acid,4-benzyloxy-2-fluorobenzoicacid,4-benzyloxy-2-fluoro-benzoic acid PubChem CID: 22314502 IUPAC Name: 2-fluoro-4-phenylmethoxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(OCC2=CC=CC=C2)C=C1
| PubChem CID | 22314502 |
|---|---|
| CAS | 114045-96-4 |
| Molecular Weight (g/mol) | 246.24 |
| MDL Number | MFCD12407082 |
| SMILES | OC(=O)C1=C(F)C=C(OCC2=CC=CC=C2)C=C1 |
| Synonym | 4-benzyloxy-2-fluorobenzoic acid,benzoic acid, 2-fluoro-4-phenylmethoxy,acmc-20mjm1,2-fluoro-4-benzyloxybenzoic acid,4-benzyloxy-2-fluorobenzoicacid,4-benzyloxy-2-fluoro-benzoic acid |
| IUPAC Name | 2-fluoro-4-phenylmethoxybenzoic acid |
| InChI Key | HWQRXVRKZFDKLJ-UHFFFAOYSA-N |
| Molecular Formula | C14H11FO3 |
4-Fluoro-3-nitrotoluene, 98%
CAS: 446-11-7 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007060 InChI Key: OORBDHOQLZRIQR-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene PubChem CID: 136287 IUPAC Name: 1-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 136287 |
|---|---|
| CAS | 446-11-7 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD00007060 |
| SMILES | CC1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene |
| IUPAC Name | 1-fluoro-4-methyl-2-nitrobenzene |
| InChI Key | OORBDHOQLZRIQR-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
[3-(1H-Pyrazol-1-yl)phenyl]methanol, ≥90%, Thermo Scientific™
CAS: 864068-80-4 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.20 MDL Number: MFCD06740322 InChI Key: VINVOQJANISHSK-UHFFFAOYSA-N Synonym: 3-1h-pyrazol-1-yl phenyl methanol,3-1-pyrazolyl benzyl alcohol,3-pyrazol-1-yl-phenyl-methanol,3-pyrazol-1-yl phenyl methanol,3-pyrazol-1-ylphenyl methanol,3-pyrazolylphenyl methan-1-ol,3-1h-pyrazole-1-yl benzyl alcohol,benzenemethanol, 3-1h-pyrazol-1-yl,benzenemethanol,3-1h-pyrazol-1-yl PubChem CID: 7164580 IUPAC Name: [3-(1H-pyrazol-1-yl)phenyl]methanol SMILES: OCC1=CC(=CC=C1)N1C=CC=N1
| PubChem CID | 7164580 |
|---|---|
| CAS | 864068-80-4 |
| Molecular Weight (g/mol) | 174.20 |
| MDL Number | MFCD06740322 |
| SMILES | OCC1=CC(=CC=C1)N1C=CC=N1 |
| Synonym | 3-1h-pyrazol-1-yl phenyl methanol,3-1-pyrazolyl benzyl alcohol,3-pyrazol-1-yl-phenyl-methanol,3-pyrazol-1-yl phenyl methanol,3-pyrazol-1-ylphenyl methanol,3-pyrazolylphenyl methan-1-ol,3-1h-pyrazole-1-yl benzyl alcohol,benzenemethanol, 3-1h-pyrazol-1-yl,benzenemethanol,3-1h-pyrazol-1-yl |
| IUPAC Name | [3-(1H-pyrazol-1-yl)phenyl]methanol |
| InChI Key | VINVOQJANISHSK-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O |
4-Chloro-3-nitrotoluene, 97+%
CAS: 89-60-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007085 InChI Key: NWESJZZPAJGHRZ-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrotoluene,3-nitro-4-chlorotoluene,benzene, 1-chloro-4-methyl-2-nitro,2-chloro-5-methylnitrobenzene,1-chloro-4-methyl-2-nitro-benzene,toluene, 4-chloro-3-nitro,3-nitro-4-chlorotoluol,pubchem19752,4,3-chloronitrotoluene,4-chloro-3-nitro-toluene PubChem CID: 6976 IUPAC Name: 1-chloro-4-methyl-2-nitrobenzene SMILES: CC1=CC=C(Cl)C(=C1)[N+]([O-])=O
| PubChem CID | 6976 |
|---|---|
| CAS | 89-60-1 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007085 |
| SMILES | CC1=CC=C(Cl)C(=C1)[N+]([O-])=O |
| Synonym | 4-chloro-3-nitrotoluene,3-nitro-4-chlorotoluene,benzene, 1-chloro-4-methyl-2-nitro,2-chloro-5-methylnitrobenzene,1-chloro-4-methyl-2-nitro-benzene,toluene, 4-chloro-3-nitro,3-nitro-4-chlorotoluol,pubchem19752,4,3-chloronitrotoluene,4-chloro-3-nitro-toluene |
| IUPAC Name | 1-chloro-4-methyl-2-nitrobenzene |
| InChI Key | NWESJZZPAJGHRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-Fluoro-3-nitrobenzoic acid, 97%
CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
| PubChem CID | 18672992 |
|---|---|
| CAS | 317-46-4 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD06797825 |
| SMILES | OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O |
| Synonym | 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro |
| IUPAC Name | 2-fluoro-3-nitrobenzoic acid |
| InChI Key | WLGUSLGYTNJJFV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
3-Aminobenzylamine, 97%
CAS: 4403-70-7 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00078355 InChI Key: ZDBWYUOUYNQZBM-UHFFFAOYSA-N Synonym: 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine PubChem CID: 4628831 IUPAC Name: 3-(aminomethyl)aniline SMILES: NCC1=CC(N)=CC=C1
| PubChem CID | 4628831 |
|---|---|
| CAS | 4403-70-7 |
| Molecular Weight (g/mol) | 122.17 |
| MDL Number | MFCD00078355 |
| SMILES | NCC1=CC(N)=CC=C1 |
| Synonym | 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine |
| IUPAC Name | 3-(aminomethyl)aniline |
| InChI Key | ZDBWYUOUYNQZBM-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2 |
Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical
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CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| CAS | 50-78-2 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| IUPAC Name | 2-(acetyloxy)benzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |