Benzene and substituted derivatives
Mordant Blue 29, TCI America™
CAS: 1667-99-8 Molecular Formula: C23H13Cl2Na3O9S Molecular Weight (g/mol): 605.277 MDL Number: MFCD00001615 InChI Key: FUIZKNBTOOKONL-UHFFFAOYSA-K Synonym: mordant blue 29,chromeazurol s,chrome azurol s,trisodium 5-3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene-2,6-dichloro-3-sulfonato-phenyl methyl-2-hydroxy-3-methyl-benzoate,trisodium 5-3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene-2,6-dichloro-3-sulfonatophenyl methyl-2-hydroxy-3-methylbenzoate PubChem CID: 54736314 IUPAC Name: trisodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
3-Nitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 636-95-3 Molecular Formula: C6H8ClN3O2 Molecular Weight (g/mol): 189.599 MDL Number: MFCD00012939 InChI Key: BKOYKMLGFFASBG-UHFFFAOYSA-N Synonym: 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl PubChem CID: 5464285 IUPAC Name: (3-nitrophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
Benzyltrimethylammonium Tribromide 97.0+%, TCI America™
CAS: 111865-47-5 Molecular Formula: C10H17Br3N+ Molecular Weight (g/mol): 390.965 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
Anisole 99.0+%, TCI America™
CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1
4-Cyanobiphenyl 98.0+%, TCI America™
CAS: 2920-38-9 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.22 MDL Number: MFCD00001821 InChI Key: BPMBNLJJRKCCRT-UHFFFAOYSA-N Synonym: 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl PubChem CID: 18021 IUPAC Name: [1,1'-biphenyl]-4-carbonitrile SMILES: N#CC1=CC=C(C=C1)C1=CC=CC=C1
4-(tert-Butoxycarbonylamino)benzoic Acid 98.0+%, TCI America™
CAS: 66493-39-8 Molecular Formula: C12H15NO4 Molecular Weight (g/mol): 237.255 MDL Number: MFCD00037428 InChI Key: ZJDBQMWMDZEONW-UHFFFAOYSA-N Synonym: boc-4-abz-oh,4-boc-amino benzoic acid,4-tert-butoxycarbonyl amino benzoic acid,4-tert-butoxycarbonylamino-benzoic acid,n-boc-4-aminobenzoic acid,4-tert-butoxycarbonylaminobenzoic acid,4-tert-butoxycarbonylamino benzoic acid,boc-p-aminobenzoic acid,4-boc-amino-benzoic acid PubChem CID: 2755931 IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O
4-Aminobenzyl Alcohol 98.0+%, TCI America™
CAS: 623-04-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00014782 InChI Key: AXKGIPZJYUNAIW-UHFFFAOYSA-N Synonym: 4-aminobenzyl alcohol,4-aminophenyl methanol,4-aminobenzylalcohol,4-hydroxymethyl aniline,p-aminobenzyl alcohol,p-aminobenzylalcohol,benzenemethanol, 4-amino,benzyl alcohol, p-amino,4-amino-benzylalcohol,pubchem7480 PubChem CID: 69331 IUPAC Name: (4-aminophenyl)methanol SMILES: NC1=CC=C(CO)C=C1
Atropic Acid 93.0+%, TCI America™
CAS: 492-38-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00046531 InChI Key: ONPJWQSDZCGSQM-UHFFFAOYSA-N Synonym: 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid PubChem CID: 68114 IUPAC Name: 2-phenylprop-2-enoic acid SMILES: C=C(C1=CC=CC=C1)C(=O)O
4-Iodoanisole 99.0+%, TCI America™
CAS: 696-62-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001056 InChI Key: SYSZENVIJHPFNL-UHFFFAOYSA-N Synonym: 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene PubChem CID: 69676 IUPAC Name: 1-iodo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)I
4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene 98.0+%, TCI America™
CAS: 161265-03-8 Molecular Formula: C39H32OP2 Molecular Weight (g/mol): 578.63 MDL Number: MFCD00233866 InChI Key: CXNIUSPIQKWYAI-UHFFFAOYSA-N Synonym: xantphos,4,5-bis diphenylphosphino-9,9-dimethylxanthene,9,9-dimethyl-4,5-bis diphenylphosphino xanthene,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphine,dimethylbisdiphenylphosphinoxanthene,unii-nmu72mog9b,nmu72mog9b,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphane,5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl-diphenylphosphane,4,5-bis-diphenylphosphanyl-9,9-dimethyl-9h-xanthene PubChem CID: 636044 IUPAC Name: [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane SMILES: CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
S-Benzoylthiamine O-Monophosphate 98.0+%, TCI America™
CAS: 22457-89-2 Molecular Formula: C19H23N4O6PS Molecular Weight (g/mol): 466.45 MDL Number: MFCD00057343,MFCD00057343 InChI Key: BTNNPSLJPBRMLZ-LGMDPLHJSA-N Synonym: benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate PubChem CID: 5282168 IUPAC Name: {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid SMILES: C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
2-(1-Adamantyl)-4-methylphenol, 99%
CAS: 41031-50-9 Molecular Formula: C17H22O Molecular Weight (g/mol): 242.36 MDL Number: MFCD00168147 InChI Key: XHLJIHBDAJFXBE-UHFFFAOYSA-N Synonym: 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl PubChem CID: 617992 IUPAC Name: 2-(1-adamantyl)-4-methylphenol SMILES: CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid, 97%, Thermo Scientific™
CAS: 54557-81-2 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00168683 InChI Key: LMDXEMFSAHAGGP-UHFFFAOYSA-N Synonym: 4-2,3-dihydro-1,4-benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydro-benzo 1,4 dioxin-6-yl-4-oxo-butyric acid,4-2,3-dihydrobenzo b 1,4 dioxin-6-yl-4-oxobutanoic acid,4-3,4-ethylenedioxy phenyl-4-oxobutyric acid,4-2,3-dihydro-1,4,benzodioxin-6-yl-4-oxobutanoic acid,4-2,3-dihydrobenzo b 1,4 dioxin-7-yl-4-oxobutanoic acid,4-oxo-4-2,3-dihydro-1,4-benzodioxin-6-yl butyric acid,4-2h,3h-benzo 3,4-e 1,4-dioxin-6-yl-4-oxobutanoic acid,maybridge1_001974,regid_for_cid_2758835 PubChem CID: 2758835 IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O
1-Phenyl-1,2,3-butanetrione 2-oxime, 98+%
CAS: 6797-44-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00466576 InChI Key: JVPIIQSFMRUIAP-PKNBQFBNSA-N Synonym: 1-phenyl-1,2,3-butanetrione 2-oxime,1,2,3-butanetrione, 1-phenyl-, 2-oxime,1-phenylbutane-1,2,3-trione 2-oxime,2-hydroxyimino-1-phenylbutane-1,3-dione,3-isonitrosobenzoylacetone,2-hydroxyimino-1-phenyl-1,3-butanedione,2e-1-phenyl-1,2,3-butanetrione 2-oxime #,2z-2-n-hydroxyimino-1-phenylbutane-1,3-dione PubChem CID: 9576558 IUPAC Name: (2E)-2-hydroxyimino-1-phenylbutane-1,3-dione SMILES: CC(=O)C(=NO)C(=O)C1=CC=CC=C1
2-Phenoxybenzaldehyde, 98%, Thermo Scientific™
CAS: 19434-34-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00800666 InChI Key: IMPIIVKYTNMBCD-UHFFFAOYSA-N Synonym: o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384 PubChem CID: 88060 IUPAC Name: 2-phenoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OC1=CC=CC=C1