Benzene and substituted derivatives
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
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
2-Amino-3,5-dibromobenzoic acid, Thermo Scientific™
CAS: 609-85-8 Molecular Formula: C7H5Br2NO2 Molecular Weight (g/mol): 294.93 MDL Number: MFCD00017087 InChI Key: WNABMWFLKQEGCP-UHFFFAOYSA-N Synonym: 3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128 PubChem CID: 219491 IUPAC Name: 2-amino-3,5-dibromobenzoic acid SMILES: NC1=C(Br)C=C(Br)C=C1C(O)=O
3-Iodophthalic acid, ≥95%, Thermo Scientific™
CAS: 6937-34-4 Molecular Formula: C8H5IO4 Molecular Weight (g/mol): 292.03 MDL Number: MFCD00275568 InChI Key: HNPVERUJGFNNRV-UHFFFAOYSA-N Synonym: 3-iodobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylicacid, 3-iodo,maybridge1_008994,3-iodo-phthalic acid,1,2-benzenedicarboxylic acid, 3-iodo PubChem CID: 238231 IUPAC Name: 3-iodophthalic acid SMILES: OC(=O)C1=CC=CC(I)=C1C(O)=O
2-Chloro-4-(methylsulfonyl)benzoic acid, 95%, Thermo Scientific™
CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
1-(3-Iodobenzyl)-1H-1,2,4-triazole, ≥95%, Thermo Scientific™
CAS: 615534-73-1 Molecular Formula: C9H8IN3 Molecular Weight (g/mol): 285.088 MDL Number: MFCD08271930 InChI Key: RFHFJBONYNRFAA-UHFFFAOYSA-N Synonym: 1-3-iodobenzyl-1h-1,2,4-triazole,1-3-iodophenyl methyl-1,2,4-triazole,1h-1,2,4-triazole,1-3-iodophenyl methyl,1-3-iodobenzyl-1h-1,2,4 triazole,3-1h-1,2,4-triazol-1-ylmethyl iodobenzene,1-3-iodophenyl methyl-1h-1,2,4-triazole PubChem CID: 18525776 IUPAC Name: 1-[(3-iodophenyl)methyl]-1,2,4-triazole SMILES: C1=CC(=CC(=C1)I)CN2C=NC=N2
1-Iodo-2-(trifluoromethoxy)benzene, 97%, Thermo Scientific™
CAS: 175278-00-9 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD00042410 InChI Key: GYBMJVZOZTVDKS-UHFFFAOYSA-N Synonym: 1-iodo-2-trifluoromethoxy benzene,2-trifluoromethoxy iodobenzene,benzene, 1-iodo-2-trifluoromethoxy,2-iodo trifluoromethoxy benzene,o-iodotrifluoromethoxybenzene,o-trifluoromethoxy iodobenzene,alpha,alpha,alpha-trifluoro-2-iodoanisole,pubchem1077,acmc-1ca3h,ksc494o5n PubChem CID: 2777292 IUPAC Name: 1-iodo-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1I
1-(4-Iodobenzyl)-1H-pyrazole, ≥95%, Thermo Scientific™
CAS: 143128-30-7 Molecular Formula: C10H9IN2 Molecular Weight (g/mol): 284.1 MDL Number: MFCD08435917 InChI Key: QRCIIHVBALOAQK-UHFFFAOYSA-N Synonym: 1-4-iodobenzyl-1h-pyrazole,1-4-iodophenyl methyl pyrazole,1h-pyrazole,1-4-iodophenyl methyl,acmc-20n26c,1-4-iodophenyl methyl-1h-pyrazole PubChem CID: 21947282 IUPAC Name: 1-[(4-iodophenyl)methyl]pyrazole SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)I
3-(1-Methyl-1H-pyrazol-3-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 906352-85-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD09065006 InChI Key: NQPMBEUYTBLTAG-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-3-yl benzoic acid,3-1-methylpyrazol-3-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-3-yl,3-3-carboxyphenyl-1-methyl-1h-pyrazole,benzoicacid, 3-1-methyl-1h-pyrazol-3-yl,benzoic acid, 3-1-methyl-1h-pyrazol-3-yl PubChem CID: 24229627 IUPAC Name: 3-(1-methylpyrazol-3-yl)benzoic acid SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)O
3-Pyrimidin-2-ylbenzoic acid, 97%, Thermo Scientific™
CAS: 579476-26-9 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD05864812 InChI Key: KLTNGIZIUGYITR-UHFFFAOYSA-N PubChem CID: 22317373 IUPAC Name: 3-pyrimidin-2-ylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CC=N2
4-(3-Thienyl)benzoic acid, 97%, Thermo Scientific™
CAS: 29886-64-4 Molecular Formula: C11H8O2S Molecular Weight (g/mol): 204.243 MDL Number: MFCD03783559 InChI Key: FISAUHGRILVMDP-UHFFFAOYSA-N Synonym: 4-3-thienyl benzoic acid,4-thiophen-3-yl benzoic acid,4-thiophen-3-yl-benzoic acid,benzoic acid, 4-3-thienyl,4-thien-3-ylbenzoic acid,4-3-thienyl-benzoic acid,maybridge3_004545,acmc-1cisg PubChem CID: 736862 IUPAC Name: 4-thiophen-3-ylbenzoic acid SMILES: C1=CC(=CC=C1C2=CSC=C2)C(=O)O
4-Hexylbenzoic acid, 97%, Thermo Scientific™
CAS: 21643-38-9 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00013997 InChI Key: CPEPWESLFZVUEP-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl,4-n-hexylbenzoic acid,p-hexylbenzoic acid,benzoic acid, p-hexyl,p-n-hexylbenzoic acid,4n-hexylbenzoic acid,maybridge1_002028,para-n-hexyl benzoic acid,acmc-1chu5,ksc201s3p PubChem CID: 30725 IUPAC Name: 4-hexylbenzoic acid SMILES: CCCCCCC1=CC=C(C=C1)C(=O)O
4-(2-furyl)benzaldehyde, Thermo Scientific™
CAS: 60456-77-1 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 InChI Key: WBUXKMOCVYRVES-UHFFFAOYSA-N Synonym: 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde PubChem CID: 2772295 IUPAC Name: 4-(furan-2-yl)benzaldehyde SMILES: C1=COC(=C1)C2=CC=C(C=C2)C=O
3-(2-Methyl-thiazol-4-yl)-benzaldehyde, 97%, Thermo Scientific™
CAS: 850375-05-2 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.26 MDL Number: MFCD02681946 InChI Key: FQQPVEKQPGDYPD-UHFFFAOYSA-N PubChem CID: 7127782 IUPAC Name: 3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde SMILES: CC1=NC(=CS1)C1=CC(C=O)=CC=C1
4-(1H-pyrazol-1-ylmethyl)benzaldehyde, Thermo Scientific™
CAS: 887922-90-9 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08059835 InChI Key: FAURNROAEFQBHX-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl benzaldehyde,4-pyrazol-1-ylmethyl-benzaldehyde,4-1h-pyrazol-1-yl methyl benzaldehyde,4-pyrazol-1-ylmethyl benzaldehyde,4-pyrazolylmethyl benzaldehyde,4-1h-pyrazol-1-ylmethyl-benzaldehyde,benzaldehyde,4-1h-pyrazol-1-ylmethyl PubChem CID: 18525876 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzaldehyde SMILES: O=CC1=CC=C(CN2C=CC=N2)C=C1