Benzene and substituted derivatives
DAPT
CAS: 208255-80-5 Molecular Formula: C23H26F2N2O4 Molecular Weight (g/mol): 432.468 MDL Number: MFCD04974585 InChI Key: DWJXYEABWRJFSP-XOBRGWDASA-N Synonym: dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix PubChem CID: 5311272 ChEBI: CHEBI:86193 IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate SMILES: CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F
(+/-)-Verapamil hydrochloride, 99+%
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Methotrexate disodium salt, 98.5%
CAS: 7413-34-5 Molecular Formula: C20H20N8Na2O5 Molecular Weight (g/mol): 498.411 MDL Number: MFCD00274560 InChI Key: DASQOOZCTWOQPA-GXKRWWSZSA-L Synonym: methotrexate disodium salt,sodium methotrexate,ledertrexate,methotrexate sodium,mtx disodium,methotrexate disodium,unii-3ig1e710zn,trexall,mexate,methotrexate lpf PubChem CID: 11329481 ChEBI: CHEBI:50679 IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
(2-Butyl)triphenylphosphonium bromide, 96%
CAS: 3968-92-1 Molecular Formula: C22H24BrP Molecular Weight (g/mol): 399.31 MDL Number: MFCD00050236 InChI Key: HKWAYXKPYJOYEL-UHFFFAOYNA-M Synonym: 2-butyl triphenylphosphonium bromide,sec-butyltriphenylphosphonium bromide,triphenyl sec-butyl phosphanium bromide,acmc-1cswd,butan-2-yl triphenyl phosphanium bromide,phosphonium, 1-methylpropyl triphenyl-, bromide 1:1 PubChem CID: 3083826 IUPAC Name: butan-2-yl(triphenyl)phosphanium;bromide SMILES: [Br-].CCC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Diphenyliodonium trifluoromethanesulfonate, 99%
CAS: 66003-76-7 Molecular Formula: C13H10F3IO3S Molecular Weight (g/mol): 430.18 MDL Number: MFCD00191356 InChI Key: SBQIJPBUMNWUKN-UHFFFAOYSA-M Synonym: diphenyliodonium trifluoromethanesulfonate,diphenyliodanium triflate,diphenyliodonium triflate,acmc-209nt6,diphenyliodonium trifluoromethansulfonat,diphenyliodanium; trifluoromethanesulfonate,diphenyliodonium trifluoromethane sulfonate,diphenyliodonium; trifluoromethanesulfonate,diphenyliodanium; tris fluoranyl methanesulfonate PubChem CID: 2737137 IUPAC Name: diphenyliodanium;trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
Ethyl 4-(trifluoromethyl)benzoate, 99%
CAS: 583-02-8 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.175 MDL Number: MFCD00013563 InChI Key: ZQDADDSPMCHZPX-UHFFFAOYSA-N Synonym: ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester PubChem CID: 521827 IUPAC Name: ethyl 4-(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(F)(F)F
3-Methylstyrene, 98%, stab. with 0.1% 4-tert-butylcatechol
CAS: 100-80-1 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.179 MDL Number: MFCD00008617 InChI Key: JZHGRUMIRATHIU-UHFFFAOYSA-N Synonym: 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g PubChem CID: 7529 IUPAC Name: 1-ethenyl-3-methylbenzene SMILES: CC1=CC=CC(=C1)C=C
Sulfamerazine sodium salt
CAS: 127-58-2 Molecular Formula: C11H11N4NaO2S Molecular Weight (g/mol): 286.285 MDL Number: MFCD00068332 InChI Key: BSFJGCCAXDCMOX-UHFFFAOYSA-N Synonym: sulfamerazine sodium,solumedine,sulfamerazine sodium salt,sodium sulfamerazine,sulfamerazin natrium,sodium sulphamerazine,soluble sulfamerazine,unii-jov4ujy07o,solfamerazina sodica dcit PubChem CID: 15899899 IUPAC Name: sodium;(4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide SMILES: CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
Methyl 2-amino-5-bromobenzoate, 98%
CAS: 52727-57-8 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00144761 InChI Key: QVNYNHCNNGKULA-UHFFFAOYSA-N Synonym: methyl 5-bromoanthranilate,2-amino-5-bromobenzoic acid methyl ester,5-bromoanthranilic acid methyl ester,2-amino-5-bromo-benzoic acid methyl ester,methyl 5-bromo-2-aminobenzoate,benzoic acid, 2-amino-5-bromo-, methyl ester,benzoic acid, 2-amino-5-bromo-, methyl ester, hydrochloride,pubchem3344,methyl-5-bromoanthranilate,acmc-1ats7 PubChem CID: 736224 IUPAC Name: methyl 2-amino-5-bromobenzoate SMILES: COC(=O)C1=CC(Br)=CC=C1N
4-Methoxy-3-nitrobenzaldehyde, 98%
CAS: 31680-08-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00126498 InChI Key: YTCRQCGRYCKYNO-UHFFFAOYSA-N Synonym: 3-nitro-4-anisaldehyde,4-methoxy-3-nitro-benzaldehyde,benzaldehyde, 4-methoxy-3-nitro,3-nitro-4-methoxybenzaldehyde,pubchem8145,3-nitro-p-anisaldehyde,acmc-1adwt,4-methoxy-5-nitrobenzaldehyde,4-methoxy-3-nitrobenzaldehyde PubChem CID: 700608 IUPAC Name: 4-methoxy-3-nitrobenzaldehyde SMILES: COC1=CC=C(C=O)C=C1[N+]([O-])=O
1,1,4,4-Tetraphenyl-1,3-butadiene, 99%
CAS: 1450-63-1 Molecular Formula: C28H22 Molecular Weight (g/mol): 358.48 MDL Number: MFCD00004766 InChI Key: KLCLIOISYBHYDZ-UHFFFAOYSA-N Synonym: 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene PubChem CID: 74060 SMILES: C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1
2,4-Dinitrophenylhydrazine, Spectrum™ Chemical
CAS: 119-26-6 Molecular Formula: C6H6N4O4 Molecular Weight (g/mol): 198.14 InChI Key: HORQAOAYAYGIBM-UHFFFAOYSA-N IUPAC Name: (2,4-dinitrophenyl)hydrazine SMILES: NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
3-Hydroxy-4-nitrobenzaldehyde, 97%
CAS: 704-13-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007109 InChI Key: AUBBVPIQUDFRQI-UHFFFAOYSA-N Synonym: benzaldehyde, 3-hydroxy-4-nitro,3-hydroxy-4-nitro-benzaldehyde,4-nitro-3-hydroxybenzaldehyde,3-formyl-6-nitrophenol,acmc-1bm06,ksc495a6r,3-hydroxy-4-nitro benzaldehyde,3-hydroxy-4-nitrobenzaldehyde PubChem CID: 69712 IUPAC Name: 3-hydroxy-4-nitrobenzaldehyde SMILES: OC1=CC(C=O)=CC=C1[N+]([O-])=O
3,5-Bis(trifluoromethyl)thiophenol, 98%
CAS: 130783-02-7 Molecular Formula: C8H4F6S Molecular Weight (g/mol): 246.17 MDL Number: MFCD00042273 InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # PubChem CID: 518690 IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiol SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
2,4 to Dichlorophenoxyacetic acid, 98.0%, For FTIR analysis, MP Biomedicals™
CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O