Benzenoids
Malachite Green, Oxalate 95.0+%, TCI America™
CAS: 2437-29-8 Molecular Formula: C52H54N4O12 Molecular Weight (g/mol): 927.02 MDL Number: MFCD00011766,MFCD00151209 InChI Key: CNYGFPPAGUCRIC-UHFFFAOYSA-L Synonym: malachite green oxalate,basic green 4,unii-gy1h9o33vu,gy1h9o33vu,malachite green, oxalate,dsstox_cid_5513,malachite green oxalate salt c.i. 42000,dsstox_rid_77817,dsstox_gsid_25513,n,n,n',n'-tetramethyl-4,4'-diaminotriphenylcarbenium oxalate PubChem CID: 2724411 IUPAC Name: bis(bis[4-(dimethylamino)phenyl](phenyl)methylium) oxalic acid dihydrogen oxalate SMILES: OC(=O)C(O)=O.OC(=O)C([O-])=O.OC(=O)C([O-])=O.CN(C)C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=C(C=C1)N(C)C.CN(C)C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=C(C=C1)N(C)C
1,2-Dibromo-4,5-dimethoxybenzene 98.0+%, TCI America™
CAS: 37895-73-1 Molecular Formula: C8H8Br2O2 Molecular Weight (g/mol): 295.958 MDL Number: MFCD00014894 InChI Key: ZYCLQXMMFJREPJ-UHFFFAOYSA-N Synonym: 4,5-dibromoveratrole,4,5-dibromoveratrol,benzene, 1,2-dibromo-4,5-dimethoxy,acmc-1aeu5,amth147,1.2-dibromo-4.5-dimethoxy-benzene,1,2-bis bromanyl-4,5-dimethoxy-benzene PubChem CID: 2758033 IUPAC Name: 1,2-dibromo-4,5-dimethoxybenzene SMILES: COC1=CC(=C(C=C1OC)Br)Br
2-Bromo-9,9-di-n-octylfluorene 97.0+%, TCI America™
CAS: 302554-80-9 Molecular Formula: C29H41Br Molecular Weight (g/mol): 469.551 MDL Number: MFCD12024273 InChI Key: ITVGRPGDCPNGHZ-UHFFFAOYSA-N PubChem CID: 12964693 IUPAC Name: 2-bromo-9,9-dioctylfluorene SMILES: CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCCCC
2,4,5-Trifluoro-3-hydroxybenzoic Acid 98.0+%, TCI America™
CAS: 116751-24-7 Molecular Formula: C7H3F3O3 Molecular Weight (g/mol): 192.093 MDL Number: MFCD00800378 InChI Key: YYAFUGSJSHXYNK-UHFFFAOYSA-N Synonym: 3-hydroxy-2,4,5-trifluorobenzoic acid,3-hydroxy-2,4,5-trifluorobenzoicacid,benzoic acid, 2,4,5-trifluoro-3-hydroxy,pubchem1353,2,4,5-trifluoro-3-hydroxy-benzoic acid,acmc-2099tc,ksc496g3r,2.4,5-trifluoro-3-hydroxybenzoic acid PubChem CID: 2734270 IUPAC Name: 2,4,5-trifluoro-3-hydroxybenzoic acid SMILES: C1=C(C(=C(C(=C1F)F)O)F)C(=O)O
2-Bromo-5-chlorobenzaldehyde 97.0+%, TCI America™
CAS: 174265-12-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 InChI Key: IIISHLMCTDMUHH-UHFFFAOYSA-N Synonym: 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa PubChem CID: 15391279 IUPAC Name: 2-bromo-5-chlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)C=O)Br
4-(Methylthio)benzyl Alcohol 98.0+%, TCI America™
CAS: 3446-90-0 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.227 MDL Number: MFCD00009706 InChI Key: MTXQKSQYMREAGJ-UHFFFAOYSA-N Synonym: 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole PubChem CID: 592968 IUPAC Name: (4-methylsulfanylphenyl)methanol SMILES: CSC1=CC=C(C=C1)CO
2,5-Dihydroxybenzoic Acid 98.0+%, TCI America™
CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O
4-Nitrobenzoic Acid Potassium Salt 99.0+%, TCI America™
CAS: 15922-01-7 Molecular Formula: C7H4KNO4 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00070536 InChI Key: MKBKSBKMELRIKB-UHFFFAOYSA-M Synonym: Potassium 4-Nitrobenzoate PubChem CID: 10125148 IUPAC Name: potassium;4-nitrobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[K+]
Dansyl Fluoride 98.0+%, TCI America™
CAS: 34523-28-9 Molecular Formula: C12H12FNO2S Molecular Weight (g/mol): 253.291 MDL Number: MFCD00042702 InChI Key: JMHHECQPPFEVMU-UHFFFAOYSA-N Synonym: 5-Dimethylaminonaphthalene-1-sulfonyl Fluoride PubChem CID: 93175 IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonyl fluoride SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F
4-Fluorothioanisole 98.0+%, TCI America™
CAS: 371-15-3 Molecular Formula: C7H7FS Molecular Weight (g/mol): 142.191 MDL Number: MFCD00040829 InChI Key: XFUMHENRNCUHOH-UHFFFAOYSA-N Synonym: 4-fluorothioanisole,1-fluoro-4-methylthio benzene,4-fluorophenyl methyl sulfide,4-fluoro thioanisole,1-fluoro-4-methylsulfanyl-benzene,1-fluoro-4-methylsulfanyl benzene,p-fluoro methylthio benzene,benzene, 1-fluoro-4-methylthio,4-fluoro-1-methylthiobenzene,pubchem10641 PubChem CID: 3083565 IUPAC Name: 1-fluoro-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C=C1)F
Dimethyl Isophthalate 99.0+%, TCI America™
CAS: 1459-93-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008433 InChI Key: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonym: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester PubChem CID: 15088 IUPAC Name: 1,3-dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC
2-Bromo-6-chloro-4-fluoroaniline 97.0+%, TCI America™
CAS: 201849-14-1 Molecular Formula: C6H4BrClFN Molecular Weight (g/mol): 224.46 MDL Number: MFCD00051707 InChI Key: LIBGMUMMWYKJSC-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-6-chloro-4-fluoro,pubchem2922,acmc-209f6h,attercop-chm at130703,2-bromo-4-fluoro-6-chloroaniline,2-bromo-6-chloro-4-fluoro-aniline,2-bromo-6-chloro-4-fluorophenylamine,6-bromo-2-chloro-4-fluorophenylamine,2-bromo-6-chloro-4-fluoro-phenylamine,2-bromo-6-chloro-4-fluoroaniline PubChem CID: 614401 IUPAC Name: 2-bromo-6-chloro-4-fluoroaniline SMILES: NC1=C(Cl)C=C(F)C=C1Br
3-Chloro-5-fluoroanisole 96.0+%, TCI America™
CAS: 202925-08-4 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.57 MDL Number: MFCD00070770 InChI Key: XPZBNEWAZPZUHF-UHFFFAOYSA-N PubChem CID: 2779258 IUPAC Name: 1-chloro-3-fluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(Cl)=C1
(2-Isopropyl-5-methylphenoxy)acetic Acid 98.0+%, TCI America™
CAS: 5333-40-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00021757 InChI Key: MURZAHIYMVFXCF-UHFFFAOYSA-N PubChem CID: 220116 IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)O