Benzene and substituted derivatives
Methyl 3-bromobenzoate, 98%
CAS: 618-89-3 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00017777 InChI Key: KMFJVYMFCAIRAN-UHFFFAOYSA-N Synonym: methyl m-bromobenzoate,3-bromobenzoic acid methyl ester,benzoic acid, 3-bromo-, methyl ester,3-bromobenzoic acid, methyl ester,methyl-3-bromobenzoate,benzoic acid, m-bromo-, methyl ester,m-bromobenzoic acid methyl ester,pubchem3961,methyl m-bromo benzoate,methyl 3-bromo-benzoate PubChem CID: 12070 IUPAC Name: methyl 3-bromobenzoate SMILES: COC(=O)C1=CC(=CC=C1)Br
4-n-Octylbenzoic acid, 99%
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
4-Fluoro-2(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™
CAS: 141179-72-8 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00040982 InChI Key: JUHPDXOIGLHXTC-UHFFFAOYSA-M Synonym: 4-fluoro-2-trifluoromethyl benzoic acid,4-fluoro-2 trifluoromethyl benzoic acid,alpha,alpha,alpha,4-tetrafluoro-o-toluic acid,benzoic acid, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzoicacid,pubchem4971,acmc-209clt,intermediates-zcf02077,ksc183o7t PubChem CID: 688255 SMILES: [O-]C(=O)C1=CC=C(F)C=C1C(F)(F)F
2-(Trifluoromethyl)phenyl isothiocyanate, 98%
CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039644 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S
4-(Trifluoromethoxy)benzylamine, 97%
CAS: 93919-56-3 MDL Number: MFCD00061237 InChI Key: DBGROTRFYBSUTR-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzylamine,4-trifluoromethoxy phenyl methanamine,1-4-trifluoromethoxy phenyl methanamine,4-trifluoromethoxybenzylamine,benzenemethanamine, 4-trifluoromethoxy,p-trifluoromethoxybenzylamine,p-trifluoromethoxy benzylamine,4-trifluoromethoxy benzyl amine,4-trifluoromethoxy phenyl methylamine PubChem CID: 571846 IUPAC Name: [4-(trifluoromethoxy)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)OC(F)(F)F
4-Chlorobenzyl alcohol, 99%
CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl
4-Bromo-3-methylbenzoic acid, 97%
CAS: 7697-28-1 Molecular Formula: C8H6BrO2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00039526 InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-M Synonym: 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b PubChem CID: 82131 IUPAC Name: 4-bromo-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Br)C([O-])=O
3-Iodoanisole, 97%
CAS: 766-85-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 MDL Number: MFCD00001048 InChI Key: RSHBAGGASAJQCH-UHFFFAOYSA-N Synonym: 3-iodoanisole,m-iodoanisole,benzene, 1-iodo-3-methoxy,anisole, m-iodo,m-methoxyiodobenzene,3-methoxyphenyl iodide,3-methoxyiodobenzene,1-iodo-3-methoxy-benzene,m-iodoanisol,m-iodo-anisole PubChem CID: 69839 IUPAC Name: 1-iodo-3-methoxybenzene SMILES: COC1=CC(=CC=C1)I
2,3,5,6-Tetrafluorobenzyl alcohol, 98%
CAS: 4084-38-2 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00792428 InChI Key: AGWVQASYTKCTCC-UHFFFAOYSA-N PubChem CID: 2734029 IUPAC Name: (2,3,5,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C(F)=CC(F)=C1F
Methyl 3-(bromomethyl)benzoate, 95%
CAS: 1129-28-8 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00051437 InChI Key: YUHSMQQNPRLEEJ-UHFFFAOYSA-N Synonym: methyl 3-bromomethyl benzoate,m-carbomethoxybenzyl bromide,3-bromomethyl benzoic acid methyl ester,benzoic acid, 3-bromomethyl-, methyl ester,methyl-3-bromomethylbenzoate,methyl alpha-bromo-m-toluate,methyl3-bromomethyl benzoate,methyl-3-bromomethyl benzoate,3-carbomethoxybenzyl bromide PubChem CID: 517981 IUPAC Name: methyl 3-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=CC(CBr)=C1
5-Bromo-2-fluorobenzaldehyde, 98%
CAS: 93777-26-5 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00070755 InChI Key: MMFGGDVQLQQQRX-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromobenzaldehyde,5-bromo-2-fluoro-benzaldehyde,2-fluoro-5-bromo benzaldehyde,5-bromo-2-fluoro benzaldehyde,benzaldehyde, 5-bromo-2-fluoro,5-brom-2-fluorbenzaldehyd,pubchem2879,acmc-209rnk,3-bromo-6-fluorobenzaldehyde,ksc494e9t PubChem CID: 736327 IUPAC Name: 5-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)F
2-Hydroxy-4-nitrobenzoic acid, 97%
CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
Homophthalic acid, 99%
CAS: 89-51-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004326 InChI Key: ZHQLTKAVLJKSKR-UHFFFAOYSA-N Synonym: homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid PubChem CID: 66643 IUPAC Name: 2-(carboxymethyl)benzoic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O
2-(Triphenylphosphoranylidene)propionaldehyde, 98%
CAS: 24720-64-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00075596 InChI Key: VHUQEFAWBCDBSC-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene propionaldehyde,2-triphenylphosphoranylidene propanal,propanal, 2-triphenylphosphoranylidene,1-formylethylidenetriphenylphosphorane,2-triphenyl-??-phosphanylidene propanal,acmc-20aol9,2-triphenylylidene propanal,1-formylethylidene triphenyl phosphorane,alpha-formylethylidenetriphenylphosphorane,propanal,2-triphenylphosphoranylidene PubChem CID: 4280987 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)propanal SMILES: CC(C=O)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)
CAS: 16971-33-8 Molecular Formula: C55H46ClOP3Ru Molecular Weight (g/mol): 952.41 MDL Number: MFCD00049804 InChI Key: IMPHYUNMDWWJAH-UHFFFAOYSA-M Synonym: carbonylchlorohydridotris triphenylphosphine-ruthenium ii PubChem CID: 71463878 IUPAC Name: formaldehyde;hydride;ruthenium(2+);triphenylphosphane;chloride SMILES: Cl[RuH++].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1