Benzene and substituted derivatives
4-(Pyrrolidin-1-ylmethyl)benzaldehyde, ≥97%, Thermo Scientific™
CAS: 650628-72-1 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.258 MDL Number: MFCD07782421 InChI Key: MTBYCACQSYAYCC-UHFFFAOYSA-N PubChem CID: 23090828 IUPAC Name: 4-(pyrrolidin-1-ylmethyl)benzaldehyde SMILES: C1CCN(C1)CC2=CC=C(C=C2)C=O
Metoclopramide hydrochloride, 98%
CAS: 7232-21-5 Molecular Formula: C14H23Cl2N3O2 Molecular Weight (g/mol): 336.26 InChI Key: RVFUNJWWXKCWNS-UHFFFAOYSA-N IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride SMILES: Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
2-Bromo-4,6-difluoroaniline, 98%
CAS: 444-14-4 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD00009639 InChI Key: WUJKFVGKLTWVSQ-UHFFFAOYSA-N Synonym: 2,4-difluoro-6-bromoaniline,6-bromo-2,4-difluoroaniline,2-bromo-4,6-difluoro-phenylamine,2-bromo-4,6-difluorobenzenamine,benzenamine, 2-bromo-4,6-difluoro,2-bromo-4,6-difluorophenylamine,pubchem2913,acmc-1ao2h,2-bromo4,6-difluoroaniline PubChem CID: 136285 IUPAC Name: 2-bromo-4,6-difluoroaniline SMILES: NC1=C(F)C=C(F)C=C1Br
Ethyl 3-(4-bromophenyl)propionate, 95%
CAS: 40640-98-0 Molecular Formula: C11H13BrO2 Molecular Weight (g/mol): 257.13 MDL Number: MFCD07772961 InChI Key: STMHGPFYLQOGJD-UHFFFAOYSA-N PubChem CID: 12731927 IUPAC Name: ethyl 3-(4-bromophenyl)propanoate SMILES: CCOC(=O)CCC1=CC=C(Br)C=C1
3-Methoxy-2-methylbenzoic acid, 97%
CAS: 55289-06-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD02094039 InChI Key: JPCISVSOTKMFPG-UHFFFAOYSA-N Synonym: 3-methoxy-o-toluic acid,2-methyl-m-anisic acid,3-methoxy-2-methyl-benzoic acid,3-methoxy-2-methylbenzoicacid,benzoic acid, 3-methoxy-2-methyl,2-methyl-3-methoxybenzoic acid,pubchem4976,acmc-209lm1,ksc269c9h,2-methyl-3-methoxy-benzoic acid PubChem CID: 7021483 IUPAC Name: 3-methoxy-2-methylbenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1C
1,3-Di-tert-butylbenzene, 99%
CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
2-(4-Chloro-2-fluorophenyl)acetonitrile, 97%, Thermo Scientific™
CAS: 75279-53-7 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD01312758 InChI Key: RTQOANCZEAIDEZ-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorophenylacetonitrile,2-4-chloro-2-fluorophenyl acetonitrile,2-fluoro-4-chlorobenzyl cyanide,4-chloro-2-fluorobenzyl cyanide,benzeneacetonitrile, 4-chloro-2-fluoro,4-chloro-2-fluoro-phenyl-acetonitrile,4-chloro-2-fluoro-phenyl acetonitrile,2-4-chloro-2-fluorophenyl ethanenitrile,pubchem4296,ksc494e1b PubChem CID: 2736569 IUPAC Name: 2-(4-chloro-2-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1Cl)F)CC#N
4,5-Dimethoxy-2-nitrobenzyl bromide, 97%
CAS: 53413-67-5 Molecular Formula: C9H10BrNO4 Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
4-Hydroxybenzophenone, 98+%
CAS: 1137-42-4 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002355 InChI Key: NPFYZDNDJHZQKY-UHFFFAOYSA-N Synonym: 4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone PubChem CID: 14347 ChEBI: CHEBI:34421 IUPAC Name: (4-hydroxyphenyl)-phenylmethanone SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
1-(2-Fluorophenyl)-2-propylamine, 97%
CAS: 1716-60-5 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD01708100 InChI Key: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonym: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride PubChem CID: 121531 IUPAC Name: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F
4-tert-Butylbenzyl chloride, 99%
CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1
1-tert-Butyl-4-iodobenzene, 97%
CAS: 35779-04-5 Molecular Formula: C10H13I Molecular Weight (g/mol): 260.118 MDL Number: MFCD00052339 InChI Key: WQVIVQDHNKQWTM-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-iodobenzene,4-tert-butyliodobenzene,4-t-butyliodobenzene,1-iodo-4-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-4-iodo,4-tert-butyl-1-iodobenzene,2-4-iodophenyl-2-methylpropane,2-4'-iodophenyl-2-methylpropane,pubchem3974,4-t-butyl-iodobenzene PubChem CID: 142029 IUPAC Name: 1-tert-butyl-4-iodobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)I
2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™
CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
4-Methyl-3-nitrobenzeneboronic acid, 98%
CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
Potassium trans-beta-styryltrifluoroborate, 98%
CAS: 201852-49-5 Molecular Formula: C8H7BF3K Molecular Weight (g/mol): 210.05 MDL Number: MFCD02093981 InChI Key: NONAUTDEFRJJII-UHFFFAOYSA-N Synonym: potassium trans-styryltrifluoroborate,potassium beta-styryltrifluoroborate,beta-styryltrifluoroboric acid potassium salt,pubchem11312,potassiostyryltrifluoroboron v,potassium-styryltrifluoroborate,potassium a-styryltrifluoroborate,potassium b-styryltrifluoroborate,potassium e-styryltrifluoroborate,potassium 2-phenylethenyltrifluoroborate PubChem CID: 23664278 IUPAC Name: potassium;trifluoro-[(E)-2-phenylethenyl]boranuide SMILES: [K+].F[B-](F)(F)C=CC1=CC=CC=C1