Toluenes

Alfa Aesar™ p-Toluenesulfonyl chloride, 98%

CAS: 98-59-9 Fórmula molecular: C7H7ClO2S Molecular Weight (g/mol): 190.641 Número MDL: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Sinónimo: tosyl chloride, p-toluenesulfonyl chloride, p-tosyl chloride, 4-toluenesulfonyl chloride, p-toluenesulfochloride, 4-methylbenzene-1-sulfonyl chloride, p-tolylsulfonyl chloride, p-toluenesulphonyl chloride, tosylchloride, p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(=O)(=O)Cl

Cloruro de p-toluenosulfonilo, +99 %, ACROS Organics™

CAS: 98-59-9 Fórmula molecular: C7H7ClO2S Molecular Weight (g/mol): 190.65 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Sinónimo: tosyl chloride, p-toluenesulfonyl chloride, p-tosyl chloride, 4-toluenesulfonyl chloride, p-toluenesulfochloride, 4-methylbenzene-1-sulfonyl chloride, p-tolylsulfonyl chloride, p-toluenesulphonyl chloride, tosylchloride, p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(=O)(=O)Cl

Alfa Aesar™ 3-Bromo-2-methylaniline, 98+%

CAS: 55289-36-6 Fórmula molecular: C7H8BrN Molecular Weight (g/mol): 186.052 Número MDL: MFCD00051579 InChI Key: IILVSKMKMOJHMA-UHFFFAOYSA-N Sinónimo: 2-amino-6-bromotoluene, 3-bromo-o-toluidine, benzenamine, 3-bromo-2-methyl, 3-bromo-2-methylbenzenamine, 2-bromo-6-aminotoluene, 3-bromo-2-methyl-phenylamine, 3-bromo-2-methyl-aniline, 3-bromo-2-methylphenylamine, 3-bromo-2-methyl-benzenamine, 3-brom-2-methylanilin PubChem CID: 123538 IUPAC Name: 3-bromo-2-methylaniline SMILES: CC1=C(C=CC=C1Br)N

p-Toluidine, 99%, crystalline molten mass, ACROS Organics™

CAS: 106-49-0 Fórmula molecular: C7H9N Molecular Weight (g/mol): 107.16 InChI Key: RZXMPPFPUUCRFN-UHFFFAOYSA-N Sinónimo: p-toluidine, 4-toluidine, p-tolylamine, 4-aminotoluene, benzenamine, 4-methyl, 4-methylbenzenamine, p-methylaniline, p-methylbenzenamine, p-toluidin, p-aminotoluene PubChem CID: 7813 ChEBI: CHEBI:37825 IUPAC Name: 4-methylaniline SMILES: CC1=CC=C(C=C1)N

Alfa Aesar™ 3-Fluoro-2-methylaniline, 98+%

CAS: 443-86-7 Fórmula molecular: C7H8FN Molecular Weight (g/mol): 125.146 Número MDL: MFCD00007760 InChI Key: SLDLVGFPFFLYBM-UHFFFAOYSA-N Sinónimo: 3-fluoro-o-toluidine, 2-fluoro-6-aminotoluene, 2-amino-6-fluorotoluene, 6-amino-2-fluorotoluene, 3-fluoro-2-methyl-aniline, benzenamine, 3-fluoro-2-methyl, 3-fluoro-2-methylphenylamine, 2-methyl-3-fluoroaniline, hydrochloride, 3-fluor-2-methylanilin PubChem CID: 285553 IUPAC Name: 3-fluoro-2-methylaniline SMILES: CC1=C(C=CC=C1F)N

4-Methyl-N-[3-(trifluoromethyl)phenyl]benzamide, 97%, Alfa Aesar™

CAS: 144918-48-9 Fórmula molecular: C15H12F3NO Molecular Weight (g/mol): 279.262 Número MDL: MFCD00423044 InChI Key: DSGGHRHTHCRAAW-UHFFFAOYSA-N Sinónimo: 4-methyl-n-3-trifluoromethyl phenyl benzamide, 4-methyl-n-3-trifluoromethyl-phenyl-benzamide, 4-methylphenyl-n-3-trifluoromethyl phenyl carboxamide PubChem CID: 723119 IUPAC Name: 4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

2-chloro-4-methylaniline, 98%, ACROS Organics™

CAS: 615-65-6 Fórmula molecular: C7H8ClN Molecular Weight (g/mol): 141.6 Número MDL: MFCD00007666 InChI Key: XGYLSRFSXKAYCR-UHFFFAOYSA-N Sinónimo: 2-chloro-p-toluidine, benzenamine, 2-chloro-4-methyl, 4-amino-3-chlorotoluene, p-toluidine, 2-chloro, 2-chlor-4-toluidin, 4-methyl-2-chloroaniline, unii-k59isj2ko1, 2-chlor-4-toluidin czech, ccris 2887, 3-chloro-4-aminotoluene PubChem CID: 12007 IUPAC Name: 2-chloro-4-methylaniline SMILES: CC1=CC(=C(C=C1)N)Cl

Alfa Aesar™ 3,5-Dibromo-4-methylaniline, 99%

CAS: 13194-73-5 Fórmula molecular: C7H7Br2N Molecular Weight (g/mol): 264.948 Número MDL: MFCD00151806 InChI Key: AQZDIKCNODUMNY-UHFFFAOYSA-N Sinónimo: 3,5-dibromo-p-toluidine, 4-amino-2,6-dibromotoluene, benzenamine, 3,5-dibromo-4-methyl, acmc-1bt4r, ksc495c9l, 3,5-dibrom-4-methyl-anilin, 3,5-dibromo-4-methylphenylamine, 3,5-dibromo-4-methylphenyl amine, benzenamine,3,5-dibromo-4-methyl, 3,5-bis bromanyl-4-methyl-aniline PubChem CID: 7015779 IUPAC Name: 3,5-dibromo-4-methylaniline SMILES: CC1=C(C=C(C=C1Br)N)Br

Alfa Aesar™ 1-(4-Methylbenzoyl)pyrrolidine, 97%

CAS: 59746-40-6 Fórmula molecular: C12H15NO Molecular Weight (g/mol): 189.258 Número MDL: MFCD00996306 InChI Key: QXMOFZGGGOFRPH-UHFFFAOYSA-N Sinónimo: 1-4-methylbenzoyl pyrrolidine, 4-methylphenyl 1-pyrrolidinyl methanone, aronis25719, 4-pyrrolidinecarbonyl toluene, 4-methylphenyl pyrrolidinyl ketone, 1-4-methylphenyl carbonyl pyrrolidine, 4-methylphenyl-pyrrolidin-1-ylmethanone, 4-methylphenyl pyrrolidin-1-yl methanone PubChem CID: 721203 IUPAC Name: (4-methylphenyl)-pyrrolidin-1-ylmethanone SMILES: CC1=CC=C(C=C1)C(=O)N2CCCC2

Alfa Aesar™ 3,3'-Dimethyldiphenylamine, 98%

CAS: 626-13-1 Fórmula molecular: C14H15N Molecular Weight (g/mol): 197.281 Número MDL: MFCD00059315 InChI Key: CWVPIIWMONJVGG-UHFFFAOYSA-N Sinónimo: di-m-tolylamine, 3,3'-dimethyldiphenylamine, m,m'-ditolylamine, dim-tolylamine, bis 3-methylphenyl amine, 3-methyl-n-3-methylphenyl aniline, benzenamine, 3-methyl-n-3-methylphenyl, di-m-tolyl-amine, 3,3'-ditolylamine, pubchem8963 PubChem CID: 7016139 IUPAC Name: 3-methyl-N-(3-methylphenyl)aniline SMILES: CC1=CC(=CC=C1)NC2=CC=CC(=C2)C

o-Tolidine dihydrochloride, 99%, ACROS Organics™

CAS: 612-82-8 Fórmula molecular: C14H16N2·2HCl Molecular Weight (g/mol): 285.2 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Sinónimo: 3,3'-dimethylbenzidine dihydrochloride, o-tolidine dihydrochloride, 3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride, unii-5msk350kd8, dsstox_cid_511, dsstox_rid_75633, dsstox_gsid_20511, tolidine dihydrochloride, 1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride, 3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl

Alfa Aesar™ Methyl p-toluenesulfonylacetate, 98+%

CAS: 50397-64-3 Fórmula molecular: C10H12O4S Molecular Weight (g/mol): 228.262 Número MDL: MFCD00025885 InChI Key: JMUZMDKWJWSBCU-UHFFFAOYSA-N Sinónimo: methyl p-toluenesulfonylacetate, methyl p-tolylsulfonyl acetate, methyl 2-tosylacetate, methyl 4-methylphenyl sulfonyl acetate, acetic acid, 4-methylphenyl sulfonyl-, methyl ester, methyl 2-4-methylphenyl sulfonyl acetate, methyl 2-p-tolylsulfonyl acetate, methyl p-toluenesulphonylacetate, methyl 2-4-methylphenyl sulfonylacetate, methyl 2-4-methylbenzenesulfonyl acetate PubChem CID: 39660 IUPAC Name: methyl 2-(4-methylphenyl)sulfonylacetate SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC

Alfa Aesar™ 3-Iodo-4-methylaniline, 98%

CAS: 35944-64-0 Fórmula molecular: C7H8IN Molecular Weight (g/mol): 233.052 Número MDL: MFCD00047843 InChI Key: RRUDMHNAMZFNEK-UHFFFAOYSA-N Sinónimo: 3-iodo-p-toluidine, benzenamine, 3-iodo-4-methyl, 4-amino-2-iodotoluene, p-toluidine, 3-iodo, 3-iodo-4-methyl-aniline, benzenamine, 3-iodo-4-methyl-9ci, 3-iodo-4-methyl-phenylamine, pubchem3314, 3-iodo-4-methyl aniline, acmc-209ik4 PubChem CID: 118889 IUPAC Name: 3-iodo-4-methylaniline SMILES: CC1=C(C=C(C=C1)N)I

Alfa Aesar™ 4-Methyl-2-nitrophenyl isothiocyanate, 95%

CAS: 17614-74-3 Fórmula molecular: C8H6N2O2S Molecular Weight (g/mol): 194.208 Número MDL: MFCD00041248 InChI Key: CUQUTWSUXWDJKF-UHFFFAOYSA-N Sinónimo: 4-methyl-2-nitrophenyl isothiocyanate, 4-methyl-2-nitrophenylisothiocyanate, benzene,1-isothiocyanato-4-methyl-2-nitro, 4-methyl-2-nitrobenzenisothiocyanate, acmc-1brfl, 4-methy-2-nitrophenyl isothiocyanate, 1-isothiocyanato-4-methyl-2-nitro-benzene, # PubChem CID: 140258 IUPAC Name: 1-isothiocyanato-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(C=C1)N=C=S)[N+](=O)[O-]

Alfa Aesar™ 2,4-Dichloro-6-methylaniline, 97%

CAS: 30273-00-8 Fórmula molecular: C7H7Cl2N Molecular Weight (g/mol): 176.04 Número MDL: MFCD00044074 InChI Key: UAISVUGQLKXPFF-UHFFFAOYSA-N Sinónimo: 4,6-dichloro-2-methylaniline, benzenamine, 2,4-dichloro-6-methyl, acmc-20aodo, 4,6-dichloro-o-toluidine, 2-amino-3,5-dichlorotoluene, 2,4-dichloro-6-methylphenylamine, 4,6-dichloro-2-methylphenylamine, 2,4-bis chloranyl-6-methyl-aniline, 2,4-dichloro-6-methylaniline PubChem CID: 1268287 IUPAC Name: 2,4-dichloro-6-methylaniline SMILES: CC1=CC(=CC(=C1N)Cl)Cl

Alfa Aesar™ 2-Iodo-4-nitrotoluene, 97%

CAS: 7745-92-8 Fórmula molecular: C7H6INO2 Molecular Weight (g/mol): 263.034 Número MDL: MFCD00024329 InChI Key: BUQSRXQJUZTIEW-UHFFFAOYSA-N Sinónimo: 2-iodo-4-nitrotoluene, benzene, 2-iodo-1-methyl-4-nitro, 2-iodo-1-methyl-4-nitro-benzene, pubchem3957, acmc-209pa2, toluene, 2-iodo-4-nitro, timtec-bb sbb005821 PubChem CID: 82188 IUPAC Name: 2-iodo-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])I

Alfa Aesar™ 4-Bromo-2-chloro-6-methylaniline, 98%

CAS: 30273-42-8 Fórmula molecular: C7H7BrClN Molecular Weight (g/mol): 220.494 Número MDL: MFCD00041432 InChI Key: DIXGIKZIIZRFKE-UHFFFAOYSA-N Sinónimo: 4-bromo-2-chloro-6-methyl-phenylamine, benzenamine, 4-bromo-2-chloro-6-methyl, pubchem23742, acmc-20a53i, 4-bromo-6-chloro-o-toluidine, 2-amino-5-bromo-3-chlorotoluene, 4-bromo-2-chloro-6-methyl-aniline, 4-bromo-6-chloro-2-methylphenylamine, 4-bromo-2-chloro-6-methylphenylamine, benzenamine,4-bromo-2-chloro-6-methyl PubChem CID: 2769626 IUPAC Name: 4-bromo-2-chloro-6-methylaniline SMILES: CC1=CC(=CC(=C1N)Cl)Br

Alfa Aesar™ 2,4-Dimethyl-6-nitroaniline, 97%

CAS: 1635-84-3 Fórmula molecular: C8H10N2O2 Molecular Weight (g/mol): 166.18 Número MDL: MFCD00007739 InChI Key: VSRYYONYIUUFFY-UHFFFAOYSA-N Sinónimo: 4,6-dimethyl-2-nitroaniline, 6-nitro-2,4-xylidine, 2,4-dimethyl-6-nitrophenyl amine, benzenamine, 2,4-dimethyl-6-nitro, 2,4-dimethyl-6-nitrophenylamine, acmc-209uyq, intermediates-zcf02230, 4-amino-5-nitro-m-xylene, cambridge id 5100320, 2-nitro-4,6-dimethylaniline PubChem CID: 74219 IUPAC Name: 2,4-dimethyl-6-nitroaniline SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C

Alfa Aesar™ 2-Bromo-5-nitrotoluene, 98%

CAS: 7149-70-4 Fórmula molecular: C7H6BrNO2 Molecular Weight (g/mol): 216.034 Número MDL: MFCD00007281 InChI Key: HIMGPQVBNICCGL-UHFFFAOYSA-N Sinónimo: 2-bromo-5-nitrotoluene, 4-bromo-3-methylnitrobenzene, benzene, 1-bromo-2-methyl-4-nitro, bromo 5--2-nitrotoluene, 2bromo-5-nitrotoluene, pubchem12553, acmc-209oiv, toluene, 2-bromo-5-nitro, ksc498a8d, methyl 2-bromo-5-nitrobenzene PubChem CID: 251672 IUPAC Name: 1-bromo-2-methyl-4-nitrobenzene SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Br

Alfa Aesar™ 4-Iodo-2-methylaniline, 98+%

CAS: 13194-68-8 Fórmula molecular: C7H8IN Molecular Weight (g/mol): 233.052 Número MDL: MFCD00025299 InChI Key: BGKLFAQCHHCZRZ-UHFFFAOYSA-N Sinónimo: 2-amino-5-iodotoluene, 4-iodo-2-methylbenzenamine, 4-iodo-o-toluidine, benzenamine, 4-iodo-2-methyl, 4-iodo-2-methyl-phenylamine, 2-methyl-4-iodoaniline, 4-iodo-2-methylphenylamine, 4-iodo-2-methyl-aniline, aniline, 4-iodo-2-methyl, aurora 1126 PubChem CID: 83221 IUPAC Name: 4-iodo-2-methylaniline SMILES: CC1=C(C=CC(=C1)I)N

m-Toluidine, 99%, Acros Organics

CAS: 108-44-1 Fórmula molecular: C7H9N Molecular Weight (g/mol): 107.15 Número MDL: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Sinónimo: m-toluidine, 3-toluidine, benzenamine, 3-methyl, 3-aminotoluene, m-methylaniline, m-tolylamine, m-toluidin, m-aminotoluene, m-methylbenzenamine, 3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC(=CC=C1)N

Alfa Aesar™ 4-Bromo-2-methyl-6-nitroaniline, 97%

CAS: 77811-44-0 Fórmula molecular: C7H7BrN2O2 Molecular Weight (g/mol): 231.049 Número MDL: MFCD00052919 InChI Key: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N Sinónimo: 4-bromo-2-methyl-6-nitro-phenylamine, 4-bromo-2-methyl-6-nitrobenzenamine, 2-amino-5-bromo-3-nitrotoluene, 4-bromo-6-nitro-o-toluidine, benzenamine, 4-bromo-2-methyl-6-nitro, 4-bromo-2-methyl-6-nitrophenylamine, 4-bromo-2-methyl-6-nitro-aniline, pubchem3813, acmc-1bg8u, ksc496e7t PubChem CID: 522679 IUPAC Name: 4-bromo-2-methyl-6-nitroaniline SMILES: CC1=CC(=CC(=C1N)[N+](=O)[O-])Br

Alfa Aesar™ 2-Fluoro-5-methylaniline, 98%

CAS: 452-84-6 Fórmula molecular: C7H8FN Molecular Weight (g/mol): 125.146 Número MDL: MFCD00007654 InChI Key: QZUXMXZNVAJNSE-UHFFFAOYSA-N Sinónimo: 3-amino-4-fluorotoluene, 6-fluoro-m-toluidine, 2-fluoro-5-methylphenylamine, 2-fluoro-5-methylbenzenamine, benzenamine, 2-fluoro-5-methyl, 2-fluoro-5-methylbenzeneamine, 2-fluoro-5-methyl-aniline, pubchem1507, 2-fluoro-5-metylaniline, acmc-209k1v PubChem CID: 262970 IUPAC Name: 2-fluoro-5-methylaniline SMILES: CC1=CC(=C(C=C1)F)N

Alfa Aesar™ 4-Iodo-2-nitrotoluene, 97%

CAS: 41252-97-5 Fórmula molecular: C7H6INO2 Molecular Weight (g/mol): 263.034 Número MDL: MFCD00051090 InChI Key: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Sinónimo: 4-iodo-2-nitrotoluene, benzene, 4-iodo-1-methyl-2-nitro, pubchem15938, 2-nitro-4-iodotoluene, acmc-1apfk, maybridge1_008109, ksc493s9d, 4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC Name: 4-iodo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)I)[N+](=O)[O-]

Alfa Aesar™ N,N'-Di(o-tolyl)ethylenediamine, 98%

CAS: 94-92-8 Fórmula molecular: C16H20N2 Molecular Weight (g/mol): 240.35 Número MDL: MFCD00048073 InChI Key: ZQMPWXFHAUDENN-UHFFFAOYSA-N Sinónimo: n,n'-di-o-tolylethylenediamine, n,n'-di o-tolyl ethylenediamine, n,n'-ethylenedi-o-toluidine, 1,2-ethanediamine, n,n'-bis 2-methylphenyl, 1,2-ethanediamine, n1,n2-bis 2-methylphenyl, n,n'-bis 2-methylphenyl ethane-1,2-diamine, 2-methylphenyl 2-2-methylphenyl amino ethyl amine, n1,n2-bis 2-methylphenyl ethane-1,2-diamine, cambridge id 5185196, n,n'-di-o-tolylethylendiamin PubChem CID: 66759 IUPAC Name: N,N'-bis(2-methylphenyl)ethane-1,2-diamine SMILES: CC1=CC=CC=C1NCCNC2=CC=CC=C2C

Alfa Aesar™ 2-Fluoro-6-nitrotoluene, 98%

CAS: 769-10-8 Fórmula molecular: C7H6FNO2 Molecular Weight (g/mol): 155.128 Número MDL: MFCD00007197 InChI Key: GXPIVRKDWZKIKZ-UHFFFAOYSA-N Sinónimo: 2-fluoro-6-nitrotoluene, 1-fluor-2-methyl-3-nitrobenzene, 2-nitro-6-fluorotoluene, 6-fluoro-2-nitrotoluene, benzene, 1-fluoro-2-methyl-3-nitro, 3-fluoro-2-methyl-1-nitrobenzene, 1-fluor-2-methyl-3-nitrobenzol, pubchem1594, acmc-1bc1k PubChem CID: 69854 IUPAC Name: 1-fluoro-2-methyl-3-nitrobenzene SMILES: CC1=C(C=CC=C1F)[N+](=O)[O-]

Alfa Aesar™ 6-Chloro-2-fluoro-3-methylaniline, 97%

CAS: 702640-48-0 Fórmula molecular: C7H7ClFN Molecular Weight (g/mol): 159.588 Número MDL: MFCD06660187 InChI Key: QXHIYPYDZBWKFU-UHFFFAOYSA-N Sinónimo: 2-chloro-5-methyl-6-fluoroaniline, 6-chloro-2-fluoro-3-methyl-aniline, 6-chloro-2-fluoro-3-methylphenylamine, 6-chloranyl-2-fluoranyl-3-methyl-aniline, benzenamine, 6-chloro-2-fluoro-3-methyl PubChem CID: 17750755 IUPAC Name: 6-chloro-2-fluoro-3-methylaniline SMILES: CC1=C(C(=C(C=C1)Cl)N)F

4,4'-Dimethyldiphenylamine, 97%, Acros Organics

CAS: 620-93-9 Fórmula molecular: C14H15N Molecular Weight (g/mol): 197.28 InChI Key: RHPVVNRNAHRJOQ-UHFFFAOYSA-N Sinónimo: 4,4'-dimethyldiphenylamine, di-p-tolylamine, p,p'-ditolylamine, 4-methyl-n-4-methylphenyl aniline, benzenamine, 4-methyl-n-4-methylphenyl, bis 4-methylphenyl amine, 4,4-dimethyldiphenylamine, dip-tolylamine, di-p-tolylamin, di-p-tolyl-amine PubChem CID: 69293 IUPAC Name: 4-methyl-N-(4-methylphenyl)aniline SMILES: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C

Alfa Aesar™ 4-Bromo-3-methylaniline, 97%

CAS: 6933-10-4 Fórmula molecular: C7H8BrN Molecular Weight (g/mol): 186.05 Número MDL: MFCD00007828 InChI Key: MMEGELSFOYDPQW-UHFFFAOYSA-N Sinónimo: 4-bromo-m-toluidine, 5-amino-2-bromotoluene, 3-methyl-4-bromoaniline, benzenamine, 4-bromo-3-methyl, 4-bromo-3-methyl-phenylamine, 4-bromo-3-methyl-aniline, 4-bromo-3-methylbenzenamine, 4-bromo-3-methylphenylamine, pubchem4339, 4-bromo3-methylaniline PubChem CID: 23359 IUPAC Name: 4-bromo-3-methylaniline SMILES: CC1=C(C=CC(=C1)N)Br

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