Benzenoids
4-Nitrophthalic acid, 99%
CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
5-Fluoro-2-nitrobenzoic acid, 98%
CAS: 320-98-9 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00055635 InChI Key: GHYZIXDKAPMFCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid PubChem CID: 2737420 SMILES: C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]
4-n-Octylbenzoic acid, 99%
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
5-Bromo-2-fluorobenzaldehyde, 98%
CAS: 93777-26-5 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00070755 InChI Key: MMFGGDVQLQQQRX-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromobenzaldehyde,5-bromo-2-fluoro-benzaldehyde,2-fluoro-5-bromo benzaldehyde,5-bromo-2-fluoro benzaldehyde,benzaldehyde, 5-bromo-2-fluoro,5-brom-2-fluorbenzaldehyd,pubchem2879,acmc-209rnk,3-bromo-6-fluorobenzaldehyde,ksc494e9t PubChem CID: 736327 IUPAC Name: 5-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)F
2-Formylphenylboronic acid pinacol ester, 97%
CAS: 380151-85-9 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD07363841 InChI Key: SLJMPQLPRHIAOM-UHFFFAOYSA-N Synonym: 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester PubChem CID: 10977322 IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O
2-Thien-2-ylbenzoic acid, 97%, Thermo Scientific™
CAS: 6072-49-7 Molecular Formula: C11H8O2S Molecular Weight (g/mol): 204.243 MDL Number: MFCD04039152 InChI Key: GDSOQCSYONDNAJ-UHFFFAOYSA-N Synonym: 2-2-thienyl benzoic acid,2-thien-2-ylbenzoic acid,2-thiophen-2-yl benzoic acid,thiolbenzoic acid,2-2-thienyl-benzoic acid,2-thiophen-2-yl-benzoic acid,2-thiophene-2-yl-benzoic acid,benzoicacid, 2-2-thienyl,benzoic acid, 2-2-thienyl PubChem CID: 5105623 IUPAC Name: 2-thiophen-2-ylbenzoic acid SMILES: C1=CC=C(C(=C1)C2=CC=CS2)C(=O)O
2-Fluoro-4-methylaniline, 99%
CAS: 452-80-2 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00040975 InChI Key: ZQEXBVHABAJPHJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyaniline,2-fluoro-p-toluidine,4-amino-3-fluorotoluene,p-toluidine, 2-fluoro,benzenamine, 2-fluoro-4-methyl,2-fluoro-4-methyl aniline,2-fluoro-4-methyl-aniline,2-fluoro-4-methyl-phenylamine,2-fluoro-4-methylphenylamine,benzenamine, 2-fluoro-4-methyl-9ci PubChem CID: 67984 IUPAC Name: 2-fluoro-4-methylaniline SMILES: CC1=CC=C(N)C(F)=C1
2-Amino-4-methylbenzonitrile, 98%
CAS: 26830-96-6 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00173706 InChI Key: LGNVAEIITHYWCG-UHFFFAOYSA-N Synonym: 2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile PubChem CID: 2801276 IUPAC Name: 2-amino-4-methylbenzonitrile SMILES: CC1=CC=C(C#N)C(N)=C1
N,N-Dimethyl-p-toluidine, 99%
CAS: 99-97-8 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008316 InChI Key: GYVGXEWAOAAJEU-UHFFFAOYSA-N Synonym: n,n-dimethyl-p-toluidine,dimethyl-p-toluidine,benzenamine, n,n,4-trimethyl,n,n-dimethyl-4-methylaniline,n,n-dimethyl-para-toluidine,4,n,n-trimethylaniline,dimethyl-4-toluidine,p-dimethylamino toluene,n,n-dimethyl-p-tolylamine,n,n,4-trimethylbenzenamine PubChem CID: 7471 IUPAC Name: N,N,4-trimethylaniline SMILES: CN(C)C1=CC=C(C)C=C1
2-Bromobenzaldehyde, 97%
CAS: 6630-33-7 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003300 InChI Key: NDOPHXWIAZIXPR-UHFFFAOYSA-N Synonym: o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo PubChem CID: 81129 IUPAC Name: 2-bromobenzaldehyde SMILES: BrC1=CC=CC=C1C=O
Dipentyl phthalate, 97%
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.4 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N Synonym: dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester PubChem CID: 8561 ChEBI: CHEBI:34680 IUPAC Name: dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
2-Formylphenylboronic acid, 98%
CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O
Benzhydrol, 99%
CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Synonym: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O
3-Benzylbenzeneboronic acid pinacol ester, 97%
CAS: 1073355-05-1 Molecular Formula: C19H23BO2 Molecular Weight (g/mol): 294.201 MDL Number: MFCD09266179 InChI Key: VNZSTZMLJUPNQM-UHFFFAOYSA-N Synonym: 2-3-benzylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-benzylphenylboronic acid pinacol ester,3-benzylbenzeneboronic acid pinacol ester,amtb038 PubChem CID: 46739037 IUPAC Name: 2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3
Benzotropine methanesulfonate
CAS: 132-17-2 Molecular Formula: C22H29NO4S Molecular Weight (g/mol): 403.54 MDL Number: MFCD00074784 InChI Key: CPFJLLXFNPCTDW-STYNFMPRSA-N Synonym: benztropine mesylate,cogentin,benztropine mesilate,benztropine methanesulfonate,unii-wmj8tl7510,benztropine methylsulfonate,benzatropine mesilate,benzatropine mesylate,benzotropine mesylate,cobrentin methanesulfonate PubChem CID: 3246155 IUPAC Name: (1R,5R)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1[C@@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=CC=C1