Benzene and substituted derivatives
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2-(4-Methylperhydro-1,4-diazepin-1-yl)benzoic acid hydrochloride hemihydrate, 95%, Thermo Scientific™
CAS: 921938-77-4 Molecular Formula: C13H19ClN2O2 Molecular Weight (g/mol): 270.757 MDL Number: MFCD09065004 InChI Key: UCYNEWGETFFMQY-UHFFFAOYSA-N Synonym: 2-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,2-4-methyl-1,4-diazepan-1-yl benzoic acid hcl,2-4-methylhomopiperazin-1-yl benzoic acid hydrochloride hemihydrate,2-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1,2-4-methylperhydro-1,4-diazepin-1-yl benzoic acid hydrochloride 0.5 hydrate,benzoicacid, 2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-, hydrochloride 1:1,benzoicacid,2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-,hydrochloride 1:1 PubChem CID: 24229621 IUPAC Name: 2-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride SMILES: CN1CCCN(CC1)C2=CC=CC=C2C(=O)O.Cl
| PubChem CID | 24229621 |
|---|---|
| CAS | 921938-77-4 |
| Molecular Weight (g/mol) | 270.757 |
| MDL Number | MFCD09065004 |
| SMILES | CN1CCCN(CC1)C2=CC=CC=C2C(=O)O.Cl |
| Synonym | 2-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,2-4-methyl-1,4-diazepan-1-yl benzoic acid hcl,2-4-methylhomopiperazin-1-yl benzoic acid hydrochloride hemihydrate,2-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1,2-4-methylperhydro-1,4-diazepin-1-yl benzoic acid hydrochloride 0.5 hydrate,benzoicacid, 2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-, hydrochloride 1:1,benzoicacid,2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-,hydrochloride 1:1 |
| IUPAC Name | 2-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride |
| InChI Key | UCYNEWGETFFMQY-UHFFFAOYSA-N |
| Molecular Formula | C13H19ClN2O2 |
p-Aminobenzoic Acid, 99+%, Free Acid, MP Biomedicals™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Tolfenamic acid, 99+%
CAS: 13710-19-5 Molecular Formula: C14H12ClNO2 Molecular Weight (g/mol): 261.705 MDL Number: MFCD00133865 InChI Key: YEZNLOUZAIOMLT-UHFFFAOYSA-N Synonym: tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid PubChem CID: 610479 ChEBI: CHEBI:32243 IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid SMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O
| PubChem CID | 610479 |
|---|---|
| CAS | 13710-19-5 |
| Molecular Weight (g/mol) | 261.705 |
| ChEBI | CHEBI:32243 |
| MDL Number | MFCD00133865 |
| SMILES | CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O |
| Synonym | tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid |
| IUPAC Name | 2-(3-chloro-2-methylanilino)benzoic acid |
| InChI Key | YEZNLOUZAIOMLT-UHFFFAOYSA-N |
| Molecular Formula | C14H12ClNO2 |
4-(4-Methylpiperazino)benzoic acid, 97%, Thermo Scientific™
CAS: 86620-62-4 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD02682063 InChI Key: UCFZVQHKTRSZMM-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p PubChem CID: 736532 IUPAC Name: 4-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 736532 |
|---|---|
| CAS | 86620-62-4 |
| Molecular Weight (g/mol) | 220.272 |
| MDL Number | MFCD02682063 |
| SMILES | CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p |
| IUPAC Name | 4-(4-methylpiperazin-1-yl)benzoic acid |
| InChI Key | UCFZVQHKTRSZMM-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O2 |
2-Amino-6-fluorobenzoic acid, 98%
CAS: 434-76-4 Molecular Formula: C7H5FNO2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00067781 InChI Key: RWSFZKWMVWPDGZ-UHFFFAOYSA-M Synonym: 6-fluoroanthranilic acid,anthralic acid, 6-fluoro,benzoic acid, 2-amino-6-fluoro,6-amino-2-fluorobenzoic acid,2-amino-6-fluoro-benzoic acid,2,amino-6-fluorobenzoic acid,4owo,pubchem1324,6-fluoroanthanilic acid,acmc-209jun PubChem CID: 521142 SMILES: NC1=CC=CC(F)=C1C([O-])=O
| PubChem CID | 521142 |
|---|---|
| CAS | 434-76-4 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00067781 |
| SMILES | NC1=CC=CC(F)=C1C([O-])=O |
| Synonym | 6-fluoroanthranilic acid,anthralic acid, 6-fluoro,benzoic acid, 2-amino-6-fluoro,6-amino-2-fluorobenzoic acid,2-amino-6-fluoro-benzoic acid,2,amino-6-fluorobenzoic acid,4owo,pubchem1324,6-fluoroanthanilic acid,acmc-209jun |
| InChI Key | RWSFZKWMVWPDGZ-UHFFFAOYSA-M |
| Molecular Formula | C7H5FNO2 |
N-(3-Aminopropyl)Cyclohexylamine, Spectrum™ Chemical
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CAS: 3312-60-5
| CAS | 3312-60-5 |
|---|
LiChropur™ N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, For chiral derivatization, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00042049 Synonym: FDAA; Marfey′s reagent
| MDL Number | MFCD00042049 |
|---|---|
| Synonym | FDAA; Marfey′s reagent |
8-Anilino-1-Naphthalenesulfonic Acid, Spectrum™ Chemical
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CAS: 82-76-8
| CAS | 82-76-8 |
|---|
Methyl Salicylate, FCC, 98%, Spectrum™ Chemical
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CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| CAS | 119-36-8 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Butylparaben, NF, 98-102%, Spectrum™ Chemical
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CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-26-8 |
|---|---|
| Molecular Weight (g/mol) | 194.23 |
| SMILES | CCCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | butyl 4-hydroxybenzoate |
| InChI Key | QFOHBWFCKVYLES-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Octisalate, USP, 95-105%, Spectrum™ Chemical
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CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
| CAS | 118-60-5 |
|---|---|
| Molecular Weight (g/mol) | 250.34 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
| InChI Key | FMRHJJZUHUTGKE-UHFFFAOYNA-N |
| Molecular Formula | C15H22O3 |
Propylparaben, NF, BP, EP, 98-102%, Spectrum™ Chemical
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Selectophore™ Sodium tetrakis(4-fluorophenyl)borate dihydrate, ≥97.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00149598 Synonym: Cesibor; Tetrakis(4-fluorophenyl)boron sodium
| MDL Number | MFCD00149598 |
|---|---|
| Synonym | Cesibor; Tetrakis(4-fluorophenyl)boron sodium |
MP Biomedicals™ FLUCONAZOLE
Selective inhibitor of fungal cytochrome P-450 sterol C-14 α-demethylation
5-Fluoro-2-methylphenylmagnesium bromide, 0.5M solution in THF, AcroSeal™, Thermo Scientific™
CAS: 186496-59-3 Molecular Formula: C7H6BrFMg Molecular Weight (g/mol): 213.33 MDL Number: MFCD01311468 InChI Key: XKMSJPVAJJFYFU-UHFFFAOYSA-M Synonym: bromo 5-fluoro-2-methylphenyl magnesium,magnesium,bromo 5-fluoro-2-methylphenyl,xkmsjpvajjfyfu-uhfffaoysa-m,5-fluoro-2-methylphenylmagnesium bromide,2-methyl-5-fluorophenyl magnesium bromide,5-fluoro-2-methylphenylmagnesium bromide solution,5-fluoro-2-methylphenylmagnesium bromide, 0.50 m in 2-methf,5-fluoro-2-methylphenylmagnesium bromide 0.5 m in tetrahydrofuran,5-fluoro-2-methylphenylmagnesium bromide solution, 0.5 m in thf,grignard reagent PubChem CID: 2778349 IUPAC Name: magnesium;1-fluoro-4-methylbenzene-5-ide;bromide SMILES: CC1=CC=C(F)C=C1[Mg]Br
| PubChem CID | 2778349 |
|---|---|
| CAS | 186496-59-3 |
| Molecular Weight (g/mol) | 213.33 |
| MDL Number | MFCD01311468 |
| SMILES | CC1=CC=C(F)C=C1[Mg]Br |
| Synonym | bromo 5-fluoro-2-methylphenyl magnesium,magnesium,bromo 5-fluoro-2-methylphenyl,xkmsjpvajjfyfu-uhfffaoysa-m,5-fluoro-2-methylphenylmagnesium bromide,2-methyl-5-fluorophenyl magnesium bromide,5-fluoro-2-methylphenylmagnesium bromide solution,5-fluoro-2-methylphenylmagnesium bromide, 0.50 m in 2-methf,5-fluoro-2-methylphenylmagnesium bromide 0.5 m in tetrahydrofuran,5-fluoro-2-methylphenylmagnesium bromide solution, 0.5 m in thf,grignard reagent |
| IUPAC Name | magnesium;1-fluoro-4-methylbenzene-5-ide;bromide |
| InChI Key | XKMSJPVAJJFYFU-UHFFFAOYSA-M |
| Molecular Formula | C7H6BrFMg |