Benzene and substituted derivatives
3,5-Bis(methoxycarbonyl)benzeneboronic acid, 97%
CAS: 177735-55-6 Molecular Formula: C10H11BO6 Molecular Weight (g/mol): 238.00 MDL Number: MFCD11053854 InChI Key: WEJWFDLAZSVCJK-UHFFFAOYSA-N Synonym: 3,5-bis methoxycarbonyl phenylboronic acid,3,5-bis methoxycarbonyl phenyl boronic acid,3,5-bis methoxycarbonyl benzeneboronic acid,1,3-benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester,3,5-di methoxycarbonyl phenylboronic acid,acmc-1c6yh,3,5-bis methoxycarbonyl phenyl-dihydroxyborane PubChem CID: 19363104 IUPAC Name: [3,5-bis(methoxycarbonyl)phenyl]boronic acid SMILES: COC(=O)C1=CC(=CC(=C1)B(O)O)C(=O)OC
4-Bromo-2-chloro-1-iodobenzene, 97%
CAS: 31928-47-9 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.348 MDL Number: MFCD00079709 InChI Key: OHHKQBZOURGNLR-UHFFFAOYSA-N Synonym: 4-bromo-2-chloroiodobenzene,1-bromo-3-chloro-4-iodobenzene,benzene, 4-bromo-2-chloro-1-iodo,buttpark 34\07-78,4-bromo-2-chloro-1-iodo-benzene,pubchem3592,acmc-1cp6y,3-chloro-4-iodobromobenzene,ksc493m0p,4-bromo-2-chloro-iodobenzene PubChem CID: 2735547 IUPAC Name: 4-bromo-2-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Br)Cl)I
1-Bromo-3,5-dinitrobenzene, 98%
CAS: 18242-39-2 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 MDL Number: MFCD00156596 InChI Key: OLDMYNWXIGPOCI-UHFFFAOYSA-N PubChem CID: 44534 IUPAC Name: 1-bromo-3,5-dinitrobenzene SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-]
Ethyl salicylate, 99+%, Thermo Scientific Chemicals
CAS: 118-61-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002215 InChI Key: GYCKQBWUSACYIF-UHFFFAOYSA-N Synonym: ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester PubChem CID: 8365 IUPAC Name: ethyl 2-hydroxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1O
4-n-Decyloxybenzoic acid, 96%
CAS: 5519-23-3 Molecular Formula: C17H26O3 Molecular Weight (g/mol): 278.392 MDL Number: MFCD00020360 InChI Key: NZNICZRIRMGOFG-UHFFFAOYSA-N PubChem CID: 138527 IUPAC Name: 4-decoxybenzoic acid SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
3-Cyanobenzoic acid, 98%
CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N
2-Amino-5-chlorobenzyl alcohol, 98%
CAS: 37585-25-4 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00075163 InChI Key: CLKBZWDZDVOIGJ-UHFFFAOYSA-N PubChem CID: 586754 IUPAC Name: (2-amino-5-chlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)CO)N
4-chloro-2-methylbenzoic acid, 97%, Thermo Scientific™
CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852 InChI Key: XXFKOBGFMUIWDH-UHFFFAOYSA-N Synonym: 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid PubChem CID: 348269 IUPAC Name: 4-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O
2-Fluoro-6-iodobenzoic acid, 97%
CAS: 111771-08-5 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD00042289 InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N Synonym: 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 PubChem CID: 2733302 IUPAC Name: 2-fluoro-6-iodobenzoic acid SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F
4-Amino-3-fluorobenzoic acid, 98%, Thermo Scientific Chemicals
CAS: 455-87-8 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD01660374 InChI Key: JSKXHTHMCCDEGD-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzoic acid,benzoic acid, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarboxylic acid,4-amino-3-fluoro-benzoic acid,4-amino-3-fluorobenzoicacid,pubchem3524,wln: zr bf dvq,acmc-209k3i,3-14-00-01153 beilstein handbook reference,buttpark 44\09-60 PubChem CID: 9971 IUPAC Name: 4-amino-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)N
4-(Methylsulfonyl)phenol, 95%, Thermo Scientific™
CAS: 14763-60-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00047806 InChI Key: KECCFSZFXLAGJS-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9 PubChem CID: 123350 IUPAC Name: 4-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C=C1
3-(Benzylamino)propionitrile, 97+%
CAS: 706-03-6 Molecular Formula: C10H13N2 Molecular Weight (g/mol): 161.23 MDL Number: MFCD00001955 InChI Key: MWTGBAURSCEGSL-UHFFFAOYSA-O Synonym: 3-benzylamino propanenitrile,3-benzylamino propionitrile,n-benzyl-2-cyanoethylamine,propanenitrile, 3-phenylmethyl amino,a-cyanoethyl benzylamine,beta-cyanoethylbenzylamine,acmc-1bk6i,3-benzylamino-propionitrile PubChem CID: 69719 IUPAC Name: 3-(benzylamino)propanenitrile SMILES: N#CCC[NH2+]CC1=CC=CC=C1
3-Bromo-5-methoxybenzoic acid, 98%
CAS: 157893-14-6 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00266858 InChI Key: DMXJBCHYVUGXEH-UHFFFAOYSA-N Synonym: 3-bromo-5-carboxyanisole,3-bromo-5-methoxybenzoicacid,3-bromo-5-methoxy-benzoic acid,benzoic acid, 3-bromo-5-methoxy,5-bromo-3-methoxybenzoic acid,pubchem16435,acmc-1bx98,ksc529k1f,3-bromo-5-methyloxy benzoic acid PubChem CID: 4060048 IUPAC Name: 3-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=CC(=C1)C(=O)O)Br
5-Amino-2-chlorobenzotrifluoride, 99%
CAS: 320-51-4 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00007846 InChI Key: ASPDJZINBYYZRU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine PubChem CID: 67574 ChEBI: CHEBI:59245 IUPAC Name: 4-chloro-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl
(2-Thien-2-ylphenyl)methanol, 97%, Thermo Scientific™
CAS: 773872-97-2 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 MDL Number: MFCD06203081 InChI Key: IUULMJAEIKVTKZ-UHFFFAOYSA-N Synonym: 2-thien-2-ylphenyl methanol,2-thiophen-2-yl phenyl methanol,2-thien-2-yl phenyl methanol,2-thiophen-2-ylphenyl methanol,2-2-thienyl phenyl methanol,benzenemethanol,2-2-thienyl,2-2-thienyl phenyl methan-1-ol PubChem CID: 2795559 SMILES: OCC1=CC=CC=C1C1=CC=CS1