Benzene and substituted derivatives

Alfa Aesar™ Amberlite™ IR-120(H), ion exchange resin

CAS: 78922-04-0 Molecular Formula: C13H10ClNO4S Molecular Weight (g/mol): 311.736 MDL Number: MFCD00132707 InChI Key: APBOVLPLJFJSRI-UHFFFAOYSA-N Synonym: 3-3-chlorophenylsulfonamido benzoic acid, 3-3-chloro-benzenesulfonylamino-benzoic acid, 3-3-chlorophenyl sulfonyl amino benzoic acid, benzoicacid, 3-3-chlorophenyl sulfonyl amino, 3-3-chlorobenzenesulfonamido benzoic acid, amberlite ir-120, 3-3-chlorophenyl sulfonylamino benzoic acid, 3-3-chlorophenyl sulfonamido benzoic acid PubChem CID: 8190984 IUPAC Name: 3-[(3-chlorophenyl)sulfonylamino]benzoic acid SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)O

Benzyl benzoate, 99+%, Acros Organics

CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol, benylate, novoscabin, benzoic acid, phenylmethyl ester, scabitox, scobenol, ascabin, benzyl phenylformate, benzoic acid, benzyl ester, phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2

Alfa Aesar™ Benzoyl peroxide, 97% (dry wt.), wet with 25% water

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide, dibenzoyl peroxide, peroxide, dibenzoyl, benzoperoxide, benzoyl superoxide, acetoxyl, lucidol, benoxyl, panoxyl, benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

p-Aminosalicylic Acid Sodium Salt Dihydrate, approx. 99%, MP Biomedicals™

CAS: 6018-19-5 Molecular Formula: C7H10NNaO5 Molecular Weight (g/mol): 211.149 InChI Key: GMUQJDAYXZXBOT-UHFFFAOYSA-M Synonym: sodium 4-aminosalicylate dihydrate, sodium 4-amino-2-hydroxybenzoate dihydrate, parasal sodium, 4-aminosalicylic acid sodium salt dihydrate, unii-s38b9w6axw, aminosalicylate sodium, sodium aminosalicylate, sodium p.a.s., s38b9w6axw, aminosalicylate sodium usp PubChem CID: 16211148 IUPAC Name: sodium;4-amino-2-hydroxybenzoate;dihydrate SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]

alpha,alpha,alpha-Trifluorotoluene, 99+%, ACROS Organics™

CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.11 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride, trifluoromethyl benzene, alpha,alpha,alpha-trifluorotoluene, phenylfluoroform, benzene, trifluoromethyl, benzenyl fluoride, benzylidyne fluoride, usaf ma-16, a,a,a-trifluorotoluene, trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F

Sibutramine hydrochloride monohydrate, Acros Organics™

CAS: 125494-59-9 Molecular Formula: C17H29Cl2NO Molecular Weight (g/mol): 334.33 InChI Key: KFNNPQDSPLWLCX-UHFFFAOYNA-N PubChem CID: 64765

3,4,5-Trimethoxyaniline, 97%, ACROS Organics™

CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy, 3,4,5-trimethoxy aniline, 3,4,5-trimethoxybenzenamine, 3,4,5-trimethoxy-phenylamine, 3,4,5-trimethoxyphenylamine, 3,5-trimethoxyaniline, 3,4,5-trimethoxyanilin, acmc-1cdy7, intermediates-zcf02654, 3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N

m-Phenetidine, 98%, ACROS Organics™

CAS: 621-33-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007785 InChI Key: WEZAHYDFZNTGKE-UHFFFAOYSA-N Synonym: m-phenetidine, benzenamine, 3-ethoxy, m-ethoxyaniline, 3-ethoxybenzenamine, unii-xe9kkl972r, ccris 4696, xe9kkl972r, 3-ethoxyphenylamine, 3-ethoxy aniline, 3-ethoxy-phenylamine PubChem CID: 12120 IUPAC Name: 3-ethoxyaniline SMILES: CCOC1=CC=CC(=C1)N

Citalopram hydrobromide, Acros Organics™

CAS: 59729-32-7 Molecular Formula: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide, citalopram hbr, cipramil, celexa, 1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide, elopram, seropram, 1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide, citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

Honeywell Riedel-de Haen™ 1,2,4-Trichlorobenzene, CHROMASOLV™, ≥99%, Honeywell Riedel-de Haen

CAS: 120-82-1 Molecular Formula: C6H3Cl3 Molecular Weight (g/mol): 181.44 MDL Number: MFCD00000547 InChI Key: PBKONEOXTCPAFI-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trichloro, unsym-trichlorobenzene, hostetex l-pec, trojchlorobenzen, 1,2,4-trichlorbenzol, 1,2,4-trichlorobenzol, 1,3,4-trichlorobenzene, trichlorobenzene a, 1,2,5-trichlorobenzene, as-trichlorobenzene PubChem CID: 13 ChEBI: CHEBI:28222 IUPAC Name: 1,2,4-trichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Cl

1,2-Phthalic dicarboxaldehyde, 98+%, Acros Organics

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde, o-phthaldialdehyde, benzene-1,2-dicarboxaldehyde, 1,2-benzenedicarboxaldehyde, phthaldialdehyde, phthalic aldehyde, phthalic dialdehyde, phthalyldicarboxaldehyde, ortho-phthalaldehyde, o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: C1=CC=C(C(=C1)C=O)C=O

2,4-Di-tert-butylphenol, 97%, ACROS Organics™

CAS: 96-76-4 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008828 InChI Key: ICKWICRCANNIBI-UHFFFAOYSA-N Synonym: 2,4-di-tert-butylphenol, 2,4-di-t-butylphenol, phenol, 2,4-bis 1,1-dimethylethyl, antioxidant no. 33, 1-hydroxy-2,4-di-tert-butylbenzene, phenol, 2,4-di-tert-butyl, 2,4-bis tert-butyl phenol, prodox 146, prodox 146a-85x, unii-fob94g6hzt PubChem CID: 7311 IUPAC Name: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

2,4,5-trifluoro-3-methoxybenzoyl chloride, Maybridge

CAS: 112811-66-2 Molecular Formula: C8H4ClF3O2 Molecular Weight (g/mol): 224.563 InChI Key: JVQSZTJTWSUJCR-UHFFFAOYSA-N Synonym: 3-methoxy-2,4,5-trifluorobenzoyl chloride, pubchem8384, acmc-1c4v9, 2,4,5-trifluoro-3-methoxy-benzoyl chloride, benzoyl chloride,2,4,5-trifluoro-3-methoxy, benzoyl chloride, 2,4,5-trifluoro-3-methoxy, 2,4,5-trifluoro-3-methoxybenzoyl chloride, 2,4,5-tris fluoranyl-3-methoxy-benzoyl chloride PubChem CID: 2775281 IUPAC Name: 2,4,5-trifluoro-3-methoxybenzoyl chloride SMILES: COC1=C(C(=CC(=C1F)F)C(=O)Cl)F

Alfa Aesar™ Congo Red, indicator grade

CAS: 573-58-0 Molecular Formula: C32H22N6Na2O6S2 Molecular Weight (g/mol): 696.664 MDL Number: MFCD00004028 InChI Key: IQFVPQOLBLOTPF-UHFFFAOYSA-L Synonym: C.I. 22120 PubChem CID: 11313 ChEBI: CHEBI:34653 IUPAC Name: disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Alfa Aesar™ Styrene-4-sulfonic acid sodium salt

CAS: 2695-37-6 Molecular Formula: C8H7NaO3S Molecular Weight (g/mol): 206.191 MDL Number: MFCD00013379 InChI Key: XFTALRAZSCGSKN-UHFFFAOYSA-M Synonym: sodium 4-vinylbenzenesulfonate, sodium p-styrenesulfonate, sodium 4-styrenesulfonate, sodium p-styrene sulfonate, unii-0kp0v3og5g, benzenesulfonic acid, 4-ethenyl-, sodium salt, poly sodium 4-vinylbenzenesulfonate, 0kp0v3og5g, sodium 4-ethenylbenzenesulfonate, p-styrenesulfonic acid sodium salt PubChem CID: 3571582 IUPAC Name: sodium;4-ethenylbenzenesulfonate SMILES: C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Maybridge

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole, 1-4-bromomethyl phenyl-1,2,4-triazole, 1h-1,2,4-triazole, 1-4-bromomethyl phenyl, 1-4-bromomethylphenyl-1h-1,2,4-triazole, zlchem 1040, 1-4-bromomethyl phenyl-1h-1,2,4-triazol, 1-4-bromomethyl-phenyl-1h-1,2,4-triazole, 1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

Alfa Aesar™ p-Anisidine, 99%

CAS: 104-94-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007864 InChI Key: BHAAPTBBJKJZER-UHFFFAOYSA-N Synonym: p-anisidine, 4-anisidine, 4-methoxybenzenamine, 4-aminoanisole, p-aminoanisole, para-anisidine, p-methoxyaniline, benzenamine, 4-methoxy, 4-methoxybenzeneamine, p-anisylamine PubChem CID: 7732 ChEBI: CHEBI:82388 IUPAC Name: 4-methoxyaniline SMILES: COC1=CC=C(C=C1)N

Eosin Y Disodium Salt, 10% Solution, MP Biomedicals™

CAS: 17372-87-1 Molecular Formula: C20H12Br4Na2O8 Molecular Weight (g/mol): 745.904 InChI Key: MASXMTNVNASWNH-UHFFFAOYSA-L Synonym: 2′,4′,5′,7′-Tetrabromofluorescein disodium salt, Acid red 87, Eosin yellowish solution, Eosin Y solution, Eosin Y PubChem CID: 91886399 IUPAC Name: disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate;trihydrate SMILES: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].O.O.O.[Na+].[Na+]

o-Xylene, ≥99.0% (GC), Honeywell™ Riedel-de-Haën™

CAS: 95-47-6 Molecular Formula: C8H10 Molecular Weight (g/mol): 106.168 MDL Number: MFCD00008519 InChI Key: CTQNGGLPUBDAKN-UHFFFAOYSA-N Synonym: o-xylene, 1,2-dimethylbenzene, ortho-xylene, o-xylol, o-methyltoluene, o-dimethylbenzene, 2-xylene, 3,4-xylene, benzene, 1,2-dimethyl, o-xylenes PubChem CID: 7237 ChEBI: CHEBI:28063 IUPAC Name: 1,2-xylene SMILES: CC1=CC=CC=C1C

Triton X-100, Alfa Aesar

CAS: 9002-93-1 Molecular Formula: C16H26O2 Molecular Weight (g/mol): 250.382 MDL Number: MFCD00132505 InChI Key: JYCQQPHGFMYQCF-UHFFFAOYSA-N PubChem CID: 5590 IUPAC Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO

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