Benzene and substituted derivatives
L(+)-Amethopterin hydrate, 99%
CAS: 133073-73-1 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.45 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-UGPWUYPHNA-N Synonym: l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate PubChem CID: 45157423 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
2-Fluoro-4-methylbenzeneboronic acid pinacol ester, 96%, Thermo Scientific™
CAS: 1165936-03-7 Molecular Formula: C13H18BFO2 Molecular Weight (g/mol): 236.093 MDL Number: MFCD18779806 InChI Key: MKWDECBHRFNFGY-UHFFFAOYSA-N Synonym: 2-2-fluoro-4-methylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-fluoro-4-methylphenylboronic acid pinacol ester,2-fluoro-4-methylbenzeneboronic acid pinacol ester,2-fluoro-4-methylphenyl boronic acid pinacol ester PubChem CID: 69672435 IUPAC Name: 2-(2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C)F
N-Methyl-2-(phenoxymethyl)benzylamine, 97%, Thermo Scientific™
CAS: 892502-17-9 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.307 MDL Number: MFCD09025894 InChI Key: WFUPXVCKIKJBIM-UHFFFAOYSA-N Synonym: n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl PubChem CID: 18525895 IUPAC Name: N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine SMILES: CNCC1=CC=CC=C1COC2=CC=CC=C2
Bis(4-fluorophenyl) disulfide, 98%
CAS: 405-31-2 Molecular Formula: C12H8F2S2 Molecular Weight (g/mol): 254.313 MDL Number: MFCD00816758 InChI Key: SLXZJIKDNHDPKL-UHFFFAOYSA-N Synonym: di-4-fluorophenyl sulfide,bis 4-fluorophenyl disulfide,1-fluoro-4-4-fluorophenyl disulfanyl benzene,1,1'-disulfanediylbis 4-fluorobenzene,4-fluorophenyldisulfide,4-fluorophenyl disulfide,4-fluorophenyl disulphide,di-p-fluorophenyl sulfide,bis 4-fluorophenyl persulfide,1,2-bis 4-fluorophenyl disulfane PubChem CID: 136252 IUPAC Name: 1-fluoro-4-[(4-fluorophenyl)disulfanyl]benzene SMILES: C1=CC(=CC=C1F)SSC2=CC=C(C=C2)F
3-(Triphenylphosphoranylidene)tetrahydropyran-2-one, 97%, Thermo Scientific™
CAS: 218282-19-0 Molecular Formula: C23H21O2P Molecular Weight (g/mol): 360.39 MDL Number: MFCD20481847 InChI Key: PZGUKMFSICDTKX-UHFFFAOYSA-N Synonym: 3-triphenyl-??-phosphanylidene oxan-2-one,3-triphenylphosphoranylidene tetrahydropyran-2-one PubChem CID: 10594674 IUPAC Name: 3-(triphenyl-$l^{5}-phosphanylidene)oxan-2-one SMILES: O=C1OCCCC1=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
2,3-Dimethoxybenzoic acid, 99%
CAS: 1521-38-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002432 InChI Key: FODBVCSYJKNBLO-UHFFFAOYSA-N Synonym: o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci PubChem CID: 15204 IUPAC Name: 2,3-dimethoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1OC
1,8-Dibenzyl-1,4,8,11-tetraazacyclotetradecane
CAS: 214078-93-0 Molecular Formula: C24H36N4 Molecular Weight (g/mol): 380.58 MDL Number: MFCD09263312 InChI Key: QWGFFCRTIFBAFJ-UHFFFAOYSA-N Synonym: 1,8-dibenzyl-1,4,8,11-tetraazacyclotetradecane,acmc-1cidi,n 1 ,n 8-dibenzylcyclam,1,4,8,11-tetraazacyclotetradecane,1,8-bis phenylmethyl PubChem CID: 11176466 IUPAC Name: 1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane SMILES: C1CNCCN(CCCNCCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3
3-Chloro-4-fluoro-5-nitrobenzotrifluoride, 98%, Thermo Scientific Chemicals
CAS: 101646-02-0 Molecular Formula: C7H2ClF4NO2 Molecular Weight (g/mol): 243.54 MDL Number: MFCD00674108 InChI Key: JVOKKJHIEVEFEB-UHFFFAOYSA-N Synonym: 3-chloro-4-fluoro-5-nitrobenzotrifluoride,1-chloro-2-fluoro-3-nitro-5-trifluoromethyl benzene,3-chloro-2-fluoro-1-nitro-5-trifluoromethyl benzene,5-chloro-4-fluoro-3-nitrotrifluoromethylbenzene,5-chloro-4-fluoro-3-nitro-trifluoromethylbenzene PubChem CID: 2736565 IUPAC Name: 1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=C(F)C(Cl)=CC(=C1)C(F)(F)F
3-Iodobenzotrifluoride, 98+%
CAS: 401-81-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001049 InChI Key: IGISPMBUGPHLBY-UHFFFAOYSA-N Synonym: 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene PubChem CID: 67868 IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)I)C(F)(F)F
4-(Trifluoromethyl)benzoyl chloride, 97%
CAS: 329-15-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000694 InChI Key: OXZYBOLWRXENKT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride PubChem CID: 67607 IUPAC Name: 4-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)C(Cl)=O
2-Bromo-5-fluorobenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 202865-66-5 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD00142876 InChI Key: HXGZPMHPSBJMKB-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorobenzyl alcohol,2-bromo-5-fluorophenyl methanol,2-bromo-5-fluorobenzylalcohol,benzenemethanol, 2-bromo-5-fluoro,2-bromo-5-fluorophenyl methan-1-ol,buttpark 87\01-69,2-bromo-5-fluorbenzyl alcohol,pubchem1963,acmc-1cs63,bromo-5-fluorobenzyl alcohol PubChem CID: 2773349 IUPAC Name: (2-bromo-5-fluorophenyl)methanol SMILES: OCC1=C(Br)C=CC(F)=C1
4-Bromo-3-fluorobenzeneboronic acid, 95%
CAS: 374790-97-3 Molecular Formula: C6H5BBrFO2 Molecular Weight (g/mol): 218.82 MDL Number: MFCD02093066 InChI Key: ACLQPRPXJMWADE-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorobenzeneboronic acid,4-bromo-3-fluorophenyl boronic acid,boronic acid, 4-bromo-3-fluorophenyl,boronic acid, b-4-bromo-3-fluorophenyl,pubchem7779,4-bromo-3-fluoro-phenyl boronic acid,acmc-209it9,4-bromo-3-fluorobenzeneboronicacid PubChem CID: 2773335 IUPAC Name: (4-bromo-3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C(F)=C1
1-(4-Bromophenyl)octane, 97%, Thermo Scientific™
CAS: 51554-93-9 Molecular Formula: C14H21Br Molecular Weight (g/mol): 269.226 MDL Number: MFCD00038348 InChI Key: OOZQSVXPBCINJF-UHFFFAOYSA-N Synonym: 1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene PubChem CID: 142854 IUPAC Name: 1-bromo-4-octylbenzene SMILES: CCCCCCCCC1=CC=C(C=C1)Br
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
3,4-difluorobenzyl Chloride, 98%
CAS: 698-80-6 Molecular Formula: C7H5ClF2 Molecular Weight (g/mol): 162.56 MDL Number: MFCD00236218 InChI Key: VTGRVYJPIVZZGS-UHFFFAOYSA-N Synonym: 3,4-difluorobenzyl chloride,4-chloromethyl-1,2-difluorobenzene,3,4-difluorobenzylchloride,benzene, 4-chloromethyl-1,2-difluoro,1-chloromethyl-3,4-difluorobenzene,alpha-chloro-3,4-difluorotoluene,3, 4-difluorobenzyl chloride,pubchem7357,4-chloromethyl-1,2-difluoro-benzene PubChem CID: 2736954 IUPAC Name: 4-(chloromethyl)-1,2-difluorobenzene SMILES: FC1=CC=C(CCl)C=C1F