Benzene and substituted derivatives

Alfa Aesar™ 2-(Difluoromethoxy)-5-fluorobenzylamine, 97%

CAS: 1017779-46-2 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD09832365 InChI Key: KZGCNFCITFWOCH-UHFFFAOYSA-N Synonym: 1-2-difluoromethoxy-5-fluorophenyl methanamine PubChem CID: 46737681 IUPAC Name: [2-(difluoromethoxy)-5-fluorophenyl]methanamine SMILES: C1=CC(=C(C=C1F)CN)OC(F)F

Alfa Aesar™ 2,4-Dimethoxybenzonitrile, 99%

CAS: 4107-65-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00001786 InChI Key: RYRZSQQELLQCMZ-UHFFFAOYSA-N Synonym: 2,4-dimethoxy-benzonitrile PubChem CID: 77750 IUPAC Name: 2,4-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)C#N)OC

Direct Red 80, Alfa Aesar™

CAS: 2612-02-4 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00054389 InChI Key: IZZIWIAOVZOBLF-UHFFFAOYSA-N Synonym: C.I. 35780; Sirius Red PubChem CID: 75787 IUPAC Name: 2-hydroxy-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)O)C(=O)O

Alfa Aesar™ 5-Chloro-2-fluorobenzamide, 97+%

CAS: 261762-57-6 Molecular Formula: C7H5ClFNO Molecular Weight (g/mol): 173.571 MDL Number: MFCD01631435 InChI Key: VTSILFLCXIRODM-UHFFFAOYSA-N Synonym: 2-fluoro-5-chlorobenzamide PubChem CID: 2773592 IUPAC Name: 5-chloro-2-fluorobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)F

Alfa Aesar™ 4-Bromo-2-methylphenol, 97%

CAS: 2367-02-4 Molecular Formula: C13H9F3O Molecular Weight (g/mol): 238.21 MDL Number: MFCD00055435 InChI Key: UZJUDUZMPNCXPF-UHFFFAOYSA-N Synonym: 1-phenoxy-4-trifluoromethyl benzene PubChem CID: 2777517 IUPAC Name: 1-phenoxy-4-(trifluoromethyl)benzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F

Alfa Aesar™ 2-(3-Chloro-4-fluorophenyl)ethanol, 96%

CAS: 340825-21-0 Molecular Formula: C8H8ClFO Molecular Weight (g/mol): 174.599 MDL Number: MFCD06201121 InChI Key: ZLWGTYVDMGWYEM-UHFFFAOYSA-N Synonym: 2-3-chloro-4-fluoro-phenyl-ethanol PubChem CID: 2757559 IUPAC Name: 2-(3-chloro-4-fluorophenyl)ethanol SMILES: C1=CC(=C(C=C1CCO)Cl)F

Alfa Aesar™ 3,5-Bis(trifluoromethyl)benzyl bromide, 98%

CAS: 32247-96-4 Molecular Formula: C9H5BrF6 Molecular Weight (g/mol): 307.033 MDL Number: MFCD00009905 InChI Key: ATLQGZVLWOURFU-UHFFFAOYSA-N Synonym: 1,3-bis trifluoromethyl-5-bromomethyl benzene PubChem CID: 122573 IUPAC Name: 1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CBr

Alfa Aesar™ 2-Nitrobenzylamine hydrochloride, 98%

CAS: 24835-08-3 Molecular Formula: C7H9ClN2O2 Molecular Weight (g/mol): 188.611 MDL Number: MFCD00136280 InChI Key: BASJTVIZZDEQBJ-UHFFFAOYSA-N Synonym: 1-2-nitrophenyl methanamine hydrochloride PubChem CID: 12235442 IUPAC Name: (2-nitrophenyl)methanamine;hydrochloride SMILES: C1=CC=C(C(=C1)CN)[N+](=O)[O-].Cl

Alfa Aesar™ 3,5-Difluorobenzaldehyde, 97%

CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: 3, 5-difluorobenzaldehyde PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O

Alfa Aesar™ 2,3-Dimethylbenzaldehyde, 97%

CAS: 5779-93-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00798004 InChI Key: UIFVCPMLQXKEEU-UHFFFAOYSA-N Synonym: 2,3-dimethyl benzaldehyde PubChem CID: 34224 IUPAC Name: 2,3-dimethylbenzaldehyde SMILES: CC1=CC=CC(=C1C)C=O

Alfa Aesar™ 4-Methoxy-N-(2-methoxybenzyl)benzamide, 97%

CAS: 331440-04-1 Molecular Formula: C16H17NO3 Molecular Weight (g/mol): 271.316 MDL Number: MFCD00752486 InChI Key: OCHBASPTHVVGMS-UHFFFAOYSA-N Synonym: 4-methoxy-n-2-methoxybenzyl benzamide PubChem CID: 796001 IUPAC Name: 4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide SMILES: COC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2OC

Alfa Aesar™ 2,4-Bis(trifluoromethyl)benzamide, 97+%

CAS: 53130-45-3 Molecular Formula: C9H5F6NO Molecular Weight (g/mol): 257.135 MDL Number: MFCD00083536 InChI Key: UFXIIQGMMJQZPG-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzamid PubChem CID: 2736099 IUPAC Name: 2,4-bis(trifluoromethyl)benzamide SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N

Alfa Aesar™ 4-Difluoromethoxy-2-fluorobenzoic acid, 97%

CAS: 1214347-60-0 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD09832367 InChI Key: RCPCZEHIEZGLER-UHFFFAOYSA-N PubChem CID: 46311650 IUPAC Name: 2-(difluoromethoxy)-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)OC(F)F)C(=O)O

Alfa Aesar™ 4-Amino-3-fluorobenzoic acid, 98%

CAS: 455-87-8 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD01660374 InChI Key: JSKXHTHMCCDEGD-UHFFFAOYSA-N Synonym: 3-14-00-01153 beilstein handbook reference PubChem CID: 9971 IUPAC Name: 4-amino-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)N

α-Bromo-2,3,4,5,6-pentafluorotoluene, 97%, Acros Organics™

CAS: 1765-40-8 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.989 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 1-bromomethyl-2,3,4,5,6-pentafluorobenzene PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br

Alfa Aesar™ N-Boc-4-iodoaniline, 95%

CAS: 159217-89-7 Molecular Formula: C11H14INO2 Molecular Weight (g/mol): 319.142 MDL Number: MFCD03490497 InChI Key: CGALRQWBJFDAKN-UHFFFAOYSA-N Synonym: 4-iodo-phenyl-carbamic acid tert-butyl ester PubChem CID: 2773612 IUPAC Name: tert-butyl N-(4-iodophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)I

Alfa Aesar™ Methyl 2-acetamido-5-bromobenzoate, 97%

CAS: 138825-96-4 Molecular Formula: C10H10BrNO3 Molecular Weight (g/mol): 272.098 MDL Number: MFCD00144758 InChI Key: CPARHIBNDSEJGR-UHFFFAOYSA-N Synonym: 2-acetamido-5-bromobenzoic acid methyl ester PubChem CID: 736223 IUPAC Name: methyl 2-acetamido-5-bromobenzoate SMILES: CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC

Alfa Aesar™ 2,4-Difluorobenzonitrile, 98%

CAS: 3939-09-1 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00009826 InChI Key: LJFDXXUKKMEQKE-UHFFFAOYSA-N Synonym: 2,4-difluoro benzonitrile PubChem CID: 77545 IUPAC Name: 2,4-difluorobenzonitrile SMILES: C1=CC(=C(C=C1F)F)C#N

Alfa Aesar™ 4-Fluoro-3-methyl-5-(trifluoromethyl)phenol, 97%

CAS: 1373920-61-6 Molecular Formula: C8H6F4O Molecular Weight (g/mol): 194.129 MDL Number: MFCD22201069 InChI Key: ZYLHFHFPFCTERO-UHFFFAOYSA-N Synonym: 4-fluoro-3-methyl-5-trifluoromethyl phenol PubChem CID: 86277676 IUPAC Name: 4-fluoro-3-methyl-5-(trifluoromethyl)phenol SMILES: CC1=CC(=CC(=C1F)C(F)(F)F)O

Alfa Aesar™ 2-Fluoro-5-methyl-4-(trifluoromethyl)benzylamine, 97%

CAS: 1323966-36-4 Molecular Formula: C9H9F4N Molecular Weight (g/mol): 207.172 MDL Number: MFCD19687196 InChI Key: RVXWFCFVRIODHK-UHFFFAOYSA-N Synonym: 1-2-fluoro-5-methyl-4-trifluoromethyl phenyl methanamine PubChem CID: 66523485 IUPAC Name: [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methanamine SMILES: CC1=CC(=C(C=C1C(F)(F)F)F)CN

Alfa Aesar™ 4-(Pentafluorothio)benzylamine, 97%

CAS: 771573-35-4 Molecular Formula: C7H8F5NS Molecular Weight (g/mol): 233.2 MDL Number: MFCD06213675 InChI Key: XEFDRIHZYFHFOJ-UHFFFAOYSA-N Synonym: 1-4-pentafluoro-??-sulfanyl phenyl methanamine PubChem CID: 66523508 IUPAC Name: [4-(pentafluoro-$l^{6}-sulfanyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)S(F)(F)(F)(F)F

Alfa Aesar™ 2,6-Dichlorophenylacetonitrile, 98%

CAS: 3215-64-3 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.035 MDL Number: MFCD00001901 InChI Key: AOEJUUCUKRUCEF-UHFFFAOYSA-N Synonym: 2,6-dichloro-phenyl-acetonitrile PubChem CID: 76678 IUPAC Name: 2-(2,6-dichlorophenyl)acetonitrile SMILES: C1=CC(=C(C(=C1)Cl)CC#N)Cl

Alfa Aesar™ 3-Chloro-2,6-difluorobenzoic acid, 97%

CAS: 225104-76-7 Molecular Formula: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 MDL Number: MFCD01631322 InChI Key: APQTVWJSXBBNEI-UHFFFAOYSA-N Synonym: 2,6-difluoro-3-chlorobenzoic acid PubChem CID: 2773534 IUPAC Name: 3-chloro-2,6-difluorobenzoic acid SMILES: C1=CC(=C(C(=C1F)C(=O)O)F)Cl

Alfa Aesar™ 2-Fluoro-4,6-bis(trifluoromethyl)benzoyl chloride, 97%

CAS: 1017778-34-5 Molecular Formula: C9H2ClF7O Molecular Weight (g/mol): 294.553 MDL Number: MFCD09258670 InChI Key: RBJVFNYOFYHETI-UHFFFAOYSA-N Synonym: 2-fluoro-4,6-bis trifluoromethyl benzoyl chloride PubChem CID: 46737582 IUPAC Name: 2-fluoro-4,6-bis(trifluoromethyl)benzoyl chloride SMILES: C1=C(C=C(C(=C1C(F)(F)F)C(=O)Cl)F)C(F)(F)F

4-Bromostyrene, Stabilized 96%, ACROS Organics™

CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 1-4-bromophenyl ethylene PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: C=CC1=CC=C(C=C1)Br

Alfa Aesar™ Ethyl hippurate, 98%

CAS: 1499-53-2 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 MDL Number: MFCD00026890 InChI Key: PTXRQIPIELXJFH-UHFFFAOYSA-N Synonym: acmc-1buir PubChem CID: 226558 IUPAC Name: ethyl 2-benzamidoacetate SMILES: CCOC(=O)CNC(=O)C1=CC=CC=C1

Alfa Aesar™ 2-Chloro-5-(trifluoromethyl)aniline, 97%

CAS: 121-50-6 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.569 MDL Number: MFCD00007673 InChI Key: VKTTYIXIDXWHKW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl aniline PubChem CID: 8475 IUPAC Name: 2-chloro-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)Cl

Alfa Aesar™ 4-(Bromomethyl)benzonitrile, 98%

CAS: 17201-43-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001829 InChI Key: UMLFTCYAQPPZER-UHFFFAOYSA-N Synonym: 4-bromomethyl benzonitrile PubChem CID: 86996 IUPAC Name: 4-(bromomethyl)benzonitrile SMILES: C1=CC(=CC=C1CBr)C#N

Alfa Aesar™ 2,5-Dichlorobenzyl bromide, 97%

CAS: 85482-13-9 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00236034 InChI Key: UUVDOPTUDWJHFK-UHFFFAOYSA-N Synonym: 1-bromomethyl-2,5-dichlorobenzene PubChem CID: 3495744 IUPAC Name: 2-(bromomethyl)-1,4-dichlorobenzene SMILES: C1=CC(=C(C=C1Cl)CBr)Cl

Alfa Aesar™ 2-Fluoro-5-methylbenzoyl chloride, 97%

CAS: 135564-61-3 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD04973776 InChI Key: WVRZOPWHCFDYSQ-UHFFFAOYSA-N Synonym: 2-fluoranyl-5-methyl-benzoyl chloride PubChem CID: 7018048 IUPAC Name: 2-fluoro-5-methylbenzoyl chloride SMILES: CC1=CC(=C(C=C1)F)C(=O)Cl

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