Benzene and substituted derivatives
1-Phenyl-1,2,3-butanetrione 2-oxime, 98+%
CAS: 6797-44-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00466576 InChI Key: JVPIIQSFMRUIAP-PKNBQFBNSA-N Synonym: 1-phenyl-1,2,3-butanetrione 2-oxime,1,2,3-butanetrione, 1-phenyl-, 2-oxime,1-phenylbutane-1,2,3-trione 2-oxime,2-hydroxyimino-1-phenylbutane-1,3-dione,3-isonitrosobenzoylacetone,2-hydroxyimino-1-phenyl-1,3-butanedione,2e-1-phenyl-1,2,3-butanetrione 2-oxime #,2z-2-n-hydroxyimino-1-phenylbutane-1,3-dione PubChem CID: 9576558 IUPAC Name: (2E)-2-hydroxyimino-1-phenylbutane-1,3-dione SMILES: CC(=O)C(=NO)C(=O)C1=CC=CC=C1
3-Bromobenzeneboronic acid, 98+%
CAS: 89598-96-9 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00239386 InChI Key: AFSSVCNPDKKSRR-UHFFFAOYSA-N Synonym: 3-bromophenyl boronic acid,3-bromobenzeneboronic acid,3-bromophenylboronicacid,boronic acid, 3-bromophenyl,pubchem1758,3-bromo-phenylboronic acid,acmc-209r1w,3-bromo-benzeneboronic acid,3-bromobenzene boronic acid PubChem CID: 2734318 IUPAC Name: (3-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC(Br)=C1
2,6-Bis(trifluoromethyl)benzeneboronic acid, 97%
CAS: 681812-07-7 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.926 MDL Number: MFCD04039321 InChI Key: WAMPGNNEOZGBHR-UHFFFAOYSA-N Synonym: 2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid PubChem CID: 2783239 IUPAC Name: [2,6-bis(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O
4-Methoxyphenylglyoxal hydrate, 95%, dry wt. basis
CAS: 16208-17-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00234534 InChI Key: NLUFPYPVEHQAQN-UHFFFAOYSA-N Synonym: 4-methoxyphenylglyoxal hydrate,2-4-methoxyphenyl-2-oxoacetaldehyde hydrate,pubchem12129,acmc-20ai17,4-methoxyphenyl glyoxal hydrate,p-methoxyphenylglyoxal monohydrate,2-4-methoxyphenyl-2-oxoethanal, hydrate,ethanone,2,2-dihydroxy-1-4-methoxyphenyl,4-methoxyphenyl oxo acetaldehyde-water 1/1,2-4-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 15556730 IUPAC Name: 2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=C(C=C1)C(=O)C(O)O
4-tert-Butylbenzylamine, 98%
CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN
5-Fluoro-2-nitrobenzaldehyde, 98%
CAS: 395-81-3 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD00153175 InChI Key: KKAFVHUJZPVWND-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t PubChem CID: 587090 IUPAC Name: 5-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(F)C=C1C=O
4-Chloro-3-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 176976-42-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD03094999 InChI Key: XHKNQBNGLMOTDB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenylboronic acid,4-chloro-3-trifluoromethyl benzeneboronic acid,4-chloro-3-trifluoromethylphenylboronic acid,4-chloro-3-trifluoromethyl phenyl boronic acid,4-chloro-3-trifluoromethyl phenylboronicacid,4-chloro-3-trifluoromethylphenyl boronic acid,boronic acid, 4-chloro-3-trifluoromethyl phenyl,pubchem1796,acmc-1cg57 PubChem CID: 2782671 IUPAC Name: [4-chloro-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O
2-Aminobenzophenone, 98%
CAS: 2835-77-0 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00007713 InChI Key: MAOBFOXLCJIFLV-UHFFFAOYSA-N Synonym: 2-aminobenzophenone,2-benzoylaniline,o-benzoylaniline,o-aminobenzophenone,2-aminophenyl phenyl methanone,methanone, 2-aminophenyl phenyl,benzophenone, 2-amino,2-amino-phenyl-phenyl-methanone,2-aminophenyl phenyl ketone,methanone, aminophenyl phenyl PubChem CID: 76080 IUPAC Name: (2-aminophenyl)-phenylmethanone SMILES: NC1=CC=CC=C1C(=O)C1=CC=CC=C1
Mebendazole
CAS: 31431-39-7 Molecular Formula: C16H13N3O3 Molecular Weight (g/mol): 295.30 MDL Number: MFCD00057872 InChI Key: OPXLLQIJSORQAM-UHFFFAOYSA-N Synonym: mebendazole,vermox,telmin,mebenvet,pantelmin,vermirax,mebenoazole,ovitelmin,bantenol,mebutar PubChem CID: 4030 ChEBI: CHEBI:6704 IUPAC Name: methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate SMILES: COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CC=C1
2-Aminobenzotrifluoride, 99%
CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N
4-Chlorobenzyl alcohol, 99%
CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 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-Bromobenzoyl chloride, 98%
CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Br)C=C1
6-Methylindole, 99%
CAS: 3420-02-8 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005682 InChI Key: ONYNOPPOVKYGRS-UHFFFAOYSA-N Synonym: n-boc-aniline,tert-butyl phenylcarbamate,n-boc aniline,t-butyl carbanilate,tert-butyl carbanilate,carbanilic acid, tert-butyl ester,carbamic acid, phenyl-, 1,1-dimethylethyl ester,n-tert-butoxycarbonyl aniline,tert-butyl n-phenylurethane,carbanilic acid tert-butyl ester PubChem CID: 137930 SMILES: CC1=CC=C2C=CNC2=C1
(R)-(+)-2-Benzyloxypropionic acid, 98%
CAS: 100836-85-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD06799065 InChI Key: XWAVPOFYNPXXEL-MRVPVSSYSA-N Synonym: r-2-benzyloxy propanoic acid,r-+-2-benzyloxy propionic acid,r-+-2-benzyloxypropionic acid,o-benzyl-d-lactic acid,2r-2-benzyloxy propanoic acid,propanoic acid, 2-phenylmethoxy-, 2r,r-benzyloxypropionic acid,r-2-benzyloxy-propionic acid,2r-2-benzyloxy propionic acid,2r-2-phenylmethoxypropanoic acid PubChem CID: 7000104 IUPAC Name: (2R)-2-phenylmethoxypropanoic acid SMILES: CC(C(=O)O)OCC1=CC=CC=C1
3-(4-Methoxybenzoyl)acrylic acid, 98%
CAS: 5711-41-1 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.20 MDL Number: MFCD00020486 InChI Key: WORYXBDHTBWLLL-VOTSOKGWSA-N Synonym: 3-4-methoxybenzoyl acrylic acid,4-4-methoxyphenyl-4-oxobut-2-enoic acid,2e-4-4-methoxyphenyl-4-oxobut-2-enoic acid,3-p-methoxybenzoyl acrylic acid,acrylic acid, 3-p-methoxybenzoyl,trans-3-4-methoxybenzoyl acrylic acid,e-4-4-methoxyphenyl-4-oxobut-2-enoic acid,gamma-oxo-4-methoxybenzenecrotonic acid,4-4-methoxyphenyl-4-oxo-buten-2-saeure,4-4-methoxyphenyl-4-oxo-2-butenoic acid PubChem CID: 5355095 IUPAC Name: (E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid SMILES: COC1=CC=C(C=C1)C(=O)\C=C\C(O)=O