Benzene and substituted derivatives
4-Fluorobenzeneboronic acid, 97%
CAS: 1765-93-1 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00039136 InChI Key: LBUNNMJLXWQQBY-UHFFFAOYSA-N Synonym: 4-fluorobenzeneboronic acid,4-fluorophenyl boronic acid,4-fluorophenyl boranediol,p-fluorophenylboronic acid,4-fluorophenylbornic acid,4-fluorophenyl dihydroxyboron,4-fluorophenyl dihydroxyborane,p-fluorophenyl boric acid,4-fluorophenyl boric acid PubChem CID: 285645 ChEBI: CHEBI:48661 IUPAC Name: (4-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1
2-Nitroterephthalic acid 1-methyl ester, 97%
CAS: 35092-89-8 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.16 MDL Number: MFCD00024510 InChI Key: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid PubChem CID: 98592 IUPAC Name: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
1-Benzyl-1,4,7,10-tetraazacyclododecane
CAS: 112193-83-6 Molecular Formula: C15H26N4 Molecular Weight (g/mol): 262.401 MDL Number: MFCD09263310 InChI Key: FURLCQRFFWBENR-UHFFFAOYSA-N Synonym: 1-benzyl-1,4,7,10-tetraazacyclododecane,1-benzylcyclen,acmc-20aoy3,1,4,7,10-tetraazacyclododecane, 1-phenylmethyl,n-benzyl-1,4,7,10-tetraazacyclododecane,min PubChem CID: 10084082 IUPAC Name: 1-benzyl-1,4,7,10-tetrazacyclododecane SMILES: C1CNCCN(CCNCCN1)CC2=CC=CC=C2
4-(Boc-amino)-2-chlorobenzoic acid, 97%
CAS: 232275-73-9 Molecular Formula: C12H14ClNO4 Molecular Weight (g/mol): 271.697 MDL Number: MFCD02682164 InChI Key: HDYBNYDKCZJPPX-UHFFFAOYSA-N Synonym: n-boc-4-amino-2-chlorobenzoic acid,4-tert-butoxycarbonyl amino-2-chlorobenzoic acid,2-chloro-4-boc-amino-benzoic acid,4-tert-butoxy carbonyl amino-2-chlorobenzoic acid,2-chloro-4-boc-amino benzoic acid,4-tert-butoxycarbonylamino-2-chloro-benzoic acid,4-tert-butoxycarbonylamino-2-chlorobenzoic acid,benzoic acid,2-chloro-4-1,1-dimethylethoxy carbonyl amino PubChem CID: 17750449 IUPAC Name: 2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl
1-Phenyl-1,2-propanedione, 98%
CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1
4-(Trifluoromethoxy)benzyl bromide, 98%, Thermo Scientific™
CAS: 50824-05-0 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.03 MDL Number: MFCD00061238 InChI Key: JDNPUJCKXLOHOW-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzyl bromide,1-bromomethyl-4-trifluoromethoxy benzene,4-trifluoromethoxybenzyl bromide,4-trifluoromethoxy benzylbromide,p-trifluoromethoxy benzyl bromide,alpha-bromo-4-trifluoromethoxy toluene,benzene, 1-bromomethyl-4-trifluoromethoxy,4-trifluoromethoxy-benzyl bromide,4-bromomethyl phenoxy trifluoromethane,1-bromomethyl-4-trifluoromethoxy-benzene PubChem CID: 142785 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1CBr)OC(F)(F)F
3,5-Difluoro-4-methoxybenzyl bromide, 97%
CAS: 706786-42-7 Molecular Formula: C8H7BrF2O Molecular Weight (g/mol): 237.04 MDL Number: MFCD04115916 InChI Key: IQTBMXJVMUSGSL-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-methoxybenzyl bromide,5-bromomethyl-1,3-difluoro-2-methoxybenzene,4-bromomethyl-2,6-difluoroanisole,benzene, 5-bromomethyl-1,3-difluoro-2-methoxy PubChem CID: 17750664 IUPAC Name: 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene SMILES: COC1=C(F)C=C(CBr)C=C1F
2-Amino-3,6-dichlorobenzoic acid, 95%, Thermo Scientific Chemicals
CAS: 3032-32-4 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00052390 InChI Key: MMIREQFMYZQWLU-UHFFFAOYSA-N PubChem CID: 604542 IUPAC Name: 2-amino-3,6-dichlorobenzoic acid SMILES: NC1=C(Cl)C=CC(Cl)=C1C(O)=O
Hexabromobenzene, 97%
CAS: 87-82-1 Molecular Formula: C6Br6 Molecular Weight (g/mol): 551.49 MDL Number: MFCD00000058 InChI Key: CAYGQBVSOZLICD-UHFFFAOYSA-N Synonym: hexabromobenzene,benzene, hexabromo,perbromobenzene,unii-t01859xwir,ccris 5917,benzene, 1,2,3,4,5,6-hexabromo,hxbbz,hexabioomobenzene,acmc-20aj0o PubChem CID: 6905 IUPAC Name: 1,2,3,4,5,6-hexabromobenzene SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
Methyl 5-fluoro-2-nitrobenzoate, 98%
CAS: 393-85-1 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD03425619 InChI Key: LCAUVFVOLNRVKG-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester PubChem CID: 5152049 IUPAC Name: methyl 5-fluoro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O
4-Bromotoluene, 99%
CAS: 106-38-7 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000109 InChI Key: ZBTMRBYMKUEVEU-UHFFFAOYSA-N Synonym: 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene PubChem CID: 7805 IUPAC Name: 1-bromo-4-methylbenzene SMILES: CC1=CC=C(Br)C=C1
4-(Trifluoromethoxy)aniline, 98%
CAS: 461-82-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00041314 InChI Key: XUJFOSLZQITUOI-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy aniline,4-trifluoromethoxy-phenylamine,4-trifluoromethoxy benzenamine,p-trifluoromethoxyaniline,4-trifluoroethoxy aniline,benzenamine, 4-trifluoromethoxy,unii-p40l42cvf6,alpha,alpha,alpha-trifluoro-p-anisidine,p-aminotrifluoromethoxybenzene,4-amino-alpha,alpha,alpha-trifluoroanisole PubChem CID: 600848 IUPAC Name: 4-(trifluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)(F)F
4-Bromo-3-nitroanisole, 96%
CAS: 5344-78-5 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00051511 InChI Key: KCOBIBRGPCFIGF-UHFFFAOYSA-N Synonym: 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 PubChem CID: 79288 IUPAC Name: 1-bromo-4-methoxy-2-nitrobenzene SMILES: COC1=CC=C(Br)C(=C1)[N+]([O-])=O
2-Chloro-4-(dimethylamino)benzaldehyde, ≥95%, Thermo Scientific™
CAS: 1424-66-4 Molecular Formula: C9H10ClNO Molecular Weight (g/mol): 183.64 MDL Number: MFCD00021051 InChI Key: XSQFAWMDRFSIMY-UHFFFAOYSA-N Synonym: 2-chloro-4-dimethylamino benzaldehyde,benzaldehyde, 2-chloro-4-dimethylamino,benzaldehyde,2-chloro-4-dimethylamino,2-chloro-4-n,n-bis methyl amino benzaldehyde,4-dimethylamino-2-chlorobenzaldehyde,acmc-209coh,3-chloro-n,n-dimethyl-4-formylaniline PubChem CID: 74021 IUPAC Name: 2-chloro-4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C(Cl)=C1
3-Nitrobenzyl alcohol, 98%
CAS: 619-25-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007273 InChI Key: CWNPOQFCIIFQDM-UHFFFAOYSA-N Synonym: 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol PubChem CID: 69267 IUPAC Name: (3-nitrophenyl)methanol SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CO