Benzene and substituted derivatives
3,4,6-Tri-O-benzyl-D-galactal, Thermo Scientific Chemicals
CAS: 80040-79-5 Molecular Formula: C27H28O4 Molecular Weight (g/mol): 416.52 MDL Number: MFCD09039276 InChI Key: MXYLLYBWXIUMIT-ZONZVBGPSA-N Synonym: tri-o-benzyl-d-galactal,3,4,6-tri-o-benzyl-d-galactal,2r,3r,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-tribenzyl-1,2-dideoxy-d-lyxo-1-hexenopyranose,1,5-anhydro-2-deoxy-d-lyxo-hex-1-enitol 3,4,6-tribenzyl ether,2r,3r,4r-3,4-bis phenylmethoxy-2-phenylmethoxymethyl-3,4-dihydro-2h-pyran PubChem CID: 2734741 IUPAC Name: (2R,3R,4R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran SMILES: C(OCC1=CC=CC=C1)[C@H]1OC=C[C@@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1
4-chlorobenzylamine, 98%
CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl
4-Bromobenzotrifluoride, 99%
CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br
Methyl 2-iodobenzoate, 99+%
CAS: 610-97-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.04 MDL Number: MFCD00016351 InChI Key: BXXLTVBTDZXPTN-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 PubChem CID: 69132 IUPAC Name: methyl 2-iodobenzoate SMILES: COC(=O)C1=CC=CC=C1I
trans-4-Hydroxystilbene, 98%
CAS: 6554-98-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00002386 InChI Key: QVLMUEOXQBUPAH-VOTSOKGWSA-N Synonym: trans-4-hydroxystilbene,4-hydroxystilbene,4-styrylphenol,4-stilbenol,e-4-stilbenol,4-2-phenylethenyl phenol,4-2-phenylvinyl phenol,4-e-2-phenylethenyl phenol,e-4-hydroxystilbene,stilben-4-ol PubChem CID: 5284650 ChEBI: CHEBI:35101 IUPAC Name: 4-[(E)-2-phenylethenyl]phenol SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)O
2,4-Dimethylbenzaldehyde, 99%
CAS: 15764-16-6 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003340 InChI Key: GISVICWQYMUPJF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dimethyl,2,4-dimethyl benzaldehyde,2,4-xylylaldehyde,2,4-dimethylbenzenecarboxaldehyde,unii-i06yu18h4a,1-formyl-2,4-dimethylbenzene,2,4-dimethyl-benzaldehyde,m-xylylaldehyde,fema no. 3427,2,4-trimethyl benzaldehyde PubChem CID: 61814 IUPAC Name: 2,4-dimethylbenzaldehyde SMILES: CC1=CC(=C(C=C1)C=O)C
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+]
(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, 99+%
CAS: 76189-55-4 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
2'-Acetonaphthone, 99%
CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1
2-chloro-6-fluorobenzaldehyde, 95%
CAS: 387-45-1 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00003306 InChI Key: OACPOWYLLGHGCR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-6-fluoro,2,6-cfad,2-chloro-6-fluoro-benzaldehyd,unii-51yj9bw8w7,2-chloro-6-fluoro benzaldehyde,2-chloro-6-fluoro-benzaldehyde,2-fluoro-6-chloro benzaldehyde,6-chloro-2-fluorobenzaldehyde,pubchem1434,acmc-209j1r PubChem CID: 67847 IUPAC Name: 2-chloro-6-fluorobenzaldehyde SMILES: FC1=CC=CC(Cl)=C1C=O
BML-259, 98%, Thermo Scientific Chemicals
CAS: 267654-00-2 Molecular Formula: C14H16N2OS Molecular Weight (g/mol): 260.355 MDL Number: MFCD09802287 InChI Key: IGRZXNLKVUEFDM-UHFFFAOYSA-N Synonym: n-5-isopropyl-thiazol-2-yl-2-phenyl-acetamide,n-5-isopropyl-1,3-thiazol-2-yl-2-phenylacetamide,biomolki_000077,biomolki2_000081,n-5-isopropyl-2-thiazolyl benzeneacetamide,n-5-isopropylthiazol-2-yl-2-phenylacetamide,2-phenyl-n-5-propan-2-yl-1,3-thiazol-2-yl acetamide,benzeneacetamide, n-5-1-methylethyl-2-thiazolyl PubChem CID: 16760027 IUPAC Name: 2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide SMILES: CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2
2-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 745783-91-9 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.13 MDL Number: MFCD08533288 InChI Key: HBOSPPHIPGYHDI-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 PubChem CID: 2783281 IUPAC Name: 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate SMILES: FC(F)(F)C1=CC=CC=C1C(=O)C=O
Benzyltriethylammonium bromide, 99%
CAS: 5197-95-5 Molecular Formula: C13H22BrN Molecular Weight (g/mol): 272.23 MDL Number: MFCD00011822 InChI Key: CHQVQXZFZHACQQ-UHFFFAOYSA-M Synonym: benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 PubChem CID: 165294 IUPAC Name: benzyl(triethyl)azanium;bromide SMILES: [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1
Methyl 3-methoxy-2-nitrobenzoate, 98%, Thermo Scientific Chemicals
CAS: 5307-17-5 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00051968 InChI Key: FDQQRLPHAAICCR-UHFFFAOYSA-N Synonym: benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester PubChem CID: 79195 IUPAC Name: methyl 3-methoxy-2-nitrobenzoate SMILES: COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O
3-Hydroxy-4-nitrobenzoic acid, 98%
CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O