Benzene and substituted derivatives
2-Chloro-3-nitrobenzoic acid, 98%
CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
4-Bromo-2-chlorobenzonitrile, 96%
CAS: 154607-01-9 Molecular Formula: C7H3BrClN Molecular Weight (g/mol): 216.46 MDL Number: MFCD00040883 InChI Key: AYQBMZNSJPVADT-UHFFFAOYSA-N Synonym: 2-chloro-4-bromobenzonitrile,4-bromo-2-chloro-benzonitrile,benzonitrile, 4-bromo-2-chloro,4-bromo-2-chlorobenzenecarbonitrile,pubchem12801,intermediates-zcf02177,acmc-209db5,ksc497g8d PubChem CID: 7010420 IUPAC Name: 4-bromo-2-chlorobenzonitrile SMILES: ClC1=C(C=CC(Br)=C1)C#N
2-Nitro-4-(trifluoromethyl)aniline, 98%
CAS: 400-98-6 Molecular Formula: C7H5F3N2O2 Molecular Weight (g/mol): 206.124 MDL Number: MFCD00007155 InChI Key: ATXBGHLILIABGX-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl aniline,4-amino-3-nitrobenzotrifluoride,benzenamine, 2-nitro-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-2-nitro-p-toluidine,4-trifluoromethyl 2-nitroaniline,4-amino-3-nitro benzotrifluoride,4-amino-3-nitrobenzo trifluoride,aniline, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethyl phenylamine,3-nitro-4-aminobenzotrifluoride PubChem CID: 67865 IUPAC Name: 2-nitro-4-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N
2-tert-Butyl-4-methylphenol, 99%
CAS: 2409-55-4 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00002381 InChI Key: IKEHOXWJQXIQAG-UHFFFAOYSA-N Synonym: 2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol PubChem CID: 17004 IUPAC Name: 2-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)C(C)(C)C
Ethyl 2-bromophenylacetate, 98%
CAS: 2178-24-7 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD00051921 InChI Key: MZQXAVZPEZUJIJ-UHFFFAOYSA-N Synonym: ethyl 2-2-bromophenyl acetate,ethyl 2-bromophenylacetate,ethyl 2-bromophenyl acetate,benzeneacetic acid, 2-bromo-, ethyl ester,acmc-20al1y,2-bromo-phenyl-acetic acid ethyl ester,ethyl o-bromophenylacetate,ethyl-2-bromophenylacetate,ethyl 2-bromo-phenylacetate,ethyl 2-2-bromophenyl-acetate PubChem CID: 2780092 IUPAC Name: ethyl 2-(2-bromophenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1Br
4-tert-Butylphenylacetylene, 96%
CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C
1-Chloro-2-fluorobenzene, 98+%
CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl
4-Aminomethylphenylboronic acid hydrochloride, 96%
CAS: 75705-21-4 Molecular Formula: C7H11BClNO2 Molecular Weight (g/mol): 187.43 MDL Number: MFCD01632199 InChI Key: HUZNRXFJHYNUMV-UHFFFAOYSA-N Synonym: 4-aminomethylphenylboronic acid hydrochloride,4-aminomethyl phenylboronic acid hydrochloride,4-aminomethylphenylboronic acid, hcl,4-aminomethyl benzeneboronic acid hydrochloride,4-aminomethylphenylboronic acid hcl,4-aminomethylphenyl boronic acid hydrochloride,4-aminomethyl phenyl boronic acid hydrochloride,4-aminomethylbenzeneboronic acid hydrochloride,4-aminomethylphenylboronic acid, hydrochloride PubChem CID: 2734311 IUPAC Name: [4-(aminomethyl)phenyl]boronic acid;hydrochloride SMILES: Cl.NCC1=CC=C(C=C1)B(O)O
2-(2-Fluorophenyl)ethanol, 99%
CAS: 50919-06-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002887 InChI Key: HNIGZVZDWCTFPR-UHFFFAOYSA-N Synonym: 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol PubChem CID: 2733296 IUPAC Name: 2-(2-fluorophenyl)ethanol SMILES: OCCC1=CC=CC=C1F
2,4,5-Trimethoxybenzaldehyde, 98%
CAS: 4460-86-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00003312 InChI Key: IAJBQAYHSQIQRE-UHFFFAOYSA-N Synonym: asaraldehyde,asaronaldehyde,asarylaldehyde,azarylaldehyde,benzaldehyde, 2,4,5-trimethoxy,gazarin,3,4,6-trimethoxybenzaldehyde,unii-ndu8j2q00d,2,4,5-trimethoxy-benzaldehyde,ccris 1296 PubChem CID: 20525 IUPAC Name: 2,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(OC)=C(C=O)C=C1OC
4-Bromomethyl-2-fluorobenzeneboronic acid pinacol ester, 96%
CAS: 1029439-49-3 Molecular Formula: C13H17BBrFO2 Molecular Weight (g/mol): 314.989 MDL Number: MFCD18434471 InChI Key: QOCYLABQSVWXGE-UHFFFAOYSA-N Synonym: 2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester PubChem CID: 53217331 IUPAC Name: 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F
2-Fluoro-3-methylbenzoic acid, 98%
CAS: 315-31-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00042504 InChI Key: DGNAETGARNTCIL-UHFFFAOYSA-N Synonym: 2-fluoro-m-toluic acid,2-fluoro-3-methylbenzoicacid,benzoic acid, 2-fluoro-3-methyl,2-fluoro-3-methyl-benzoic acid,maybridge1_003142,pubchem1328,fluoro-3-methylbenzoic acid,ksc222a8b,3-methyl-2-fluorobenzoic acid,2-fluoro-3-methyl benzoic acid PubChem CID: 2737379 IUPAC Name: 2-fluoro-3-methylbenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1F
4-Fluoro-2-methylaniline, 97%
CAS: 452-71-1 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007832 InChI Key: KMHLGVTVACLEJE-UHFFFAOYSA-N Synonym: 2-amino-5-fluorotoluene,benzenamine, 4-fluoro-2-methyl,4-fluoro-2-methylbenzenamine,6-amino-3-fluorotoluene,o-toluidine, 4-fluoro,2-methyl-4-fluoroaniline,4-fluorotoluidine,4-fluoro-o-toluidine,3-fluoro-6-aminotoluene PubChem CID: 67982 IUPAC Name: 4-fluoro-2-methylaniline SMILES: CC1=CC(F)=CC=C1N
5-Fluoro-2-methylaniline, 98%
CAS: 367-29-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007764 InChI Key: JLCDTNNLXUMYFQ-UHFFFAOYSA-N Synonym: 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin PubChem CID: 67774 IUPAC Name: 5-fluoro-2-methylaniline SMILES: CC1=CC=C(F)C=C1N