Halobenzenes

Decachlorobiphenyl Stock Standard, SPEX CertiPrep™

CAS: 2051-24-3 Molecular Formula: C12Cl10 Molecular Weight (g/mol): 498.632 InChI Key: ONXPZLFXDMAPRO-UHFFFAOYSA-N PubChem CID: 16318 ChEBI: CHEBI:34666 IUPAC Name: 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

Alfa Aesar™ Potassium tetrakis(pentafluorophenyl)borate, 97%

CAS: 89171-23-3 Molecular Formula: C24BF20K Molecular Weight (g/mol): 718.14 MDL Number: MFCD06797410 InChI Key: GYBHRIJOPWTIKA-UHFFFAOYSA-N Synonym: potassium tetrakis 2,3,4,5,6-pentafluorophenyl boranuide PubChem CID: 23693577 IUPAC Name: potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide SMILES: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]

Chlorobenzene (Laboratory), Fisher Chemical

CAS: 108-90-7 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 112.556 MDL Number: MFCD00000530 InChI Key: MVPPADPHJFYWMZ-UHFFFAOYSA-N Synonym: benzene chloride PubChem CID: 7964 ChEBI: CHEBI:28097 IUPAC Name: chlorobenzene SMILES: C1=CC=C(C=C1)Cl

O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride, 98%, Acros Organics™

CAS: 57981-02-9 Molecular Formula: C7H4F5NO·HCl Molecular Weight (g/mol): 249.57 InChI Key: HVMVKNXIMUCYJA-UHFFFAOYSA-N Synonym: acmc-1b0zv PubChem CID: 122307 IUPAC Name: O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)ON.Cl

Bromobenzene (Certified), Fisher Chemical

CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: 1-bromobenzene PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: C1=CC=C(C=C1)Br

Alfa Aesar™ Chlorobenzene, ACS, 99.5%

CAS: 108-90-7 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 112.556 MDL Number: MFCD00000530 InChI Key: MVPPADPHJFYWMZ-UHFFFAOYSA-N Synonym: benzene chloride PubChem CID: 7964 ChEBI: CHEBI:28097 IUPAC Name: chlorobenzene SMILES: C1=CC=C(C=C1)Cl

2-Fluoroaniline 99.0+%, TCI America™

CAS: 348-54-9 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00007642 InChI Key: FTZQXOJYPFINKJ-UHFFFAOYSA-N Synonym: o-fluoroaniline, benzenamine, 2-fluoro, 1-amino-2-fluorobenzene, 2-fluorobenzenamine, 2-fluoro-phenylamine, 2-fluoro-benzenamine, fluoroaniline-2, o-aminofluorobenzene, aniline, o-fluoro, 2-fluorophenylamine PubChem CID: 9584 ChEBI: CHEBI:27526 IUPAC Name: 2-fluoroaniline SMILES: C1=CC=C(C(=C1)N)F

Alfa Aesar™ 2,4-Difluoro-1-iodobenzene, 99%

CAS: 2265-93-2 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.991 MDL Number: MFCD00040151 InChI Key: YKLDMAPEGQYZRT-UHFFFAOYSA-N Synonym: 1,3-difluoro-4-iodobenzene PubChem CID: 137519 IUPAC Name: 2,4-difluoro-1-iodobenzene SMILES: C1=CC(=C(C=C1F)F)I

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: 1,2,4-trichlorbenzol PubChem CID: 13 ChEBI: CHEBI:28222 IUPAC Name: 1,2,4-trichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Cl

Chlorobenzene (Certified), Fisher Chemical

CAS: 108-90-7 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 112.556 MDL Number: MFCD00000530 InChI Key: MVPPADPHJFYWMZ-UHFFFAOYSA-N Synonym: benzene chloride PubChem CID: 7964 ChEBI: CHEBI:28097 IUPAC Name: chlorobenzene SMILES: C1=CC=C(C=C1)Cl

Bromobenzene 99.0+%, TCI America™

CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo, monobromobenzene, phenyl bromide, bromo-benzene, 1-bromobenzene, phbr, bromo benzene, 4-bromobenzene, unii-co4d5j547l, hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: C1=CC=C(C=C1)Br

Tris(pentafluorophenyl)borane, 95%, ACROS Organics™

CAS: 1109-15-5 Molecular Formula: C18BF15 Molecular Weight (g/mol): 511.99 MDL Number: MFCD00269813 InChI Key: OBAJXDYVZBHCGT-UHFFFAOYSA-N Synonym: borane, tris 2,3,4,5,6-pentafluorophenyl PubChem CID: 582056 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)borane SMILES: B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F

Alfa Aesar™ 1-Chloro-3,5-dimethoxybenzene, 98%

CAS: 7051-16-3 Molecular Formula: C8H9ClO2 Molecular Weight (g/mol): 172.608 MDL Number: MFCD00008382 InChI Key: WQHNWJBSROXROL-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-5-chlorobenzene PubChem CID: 81502 IUPAC Name: 1-chloro-3,5-dimethoxybenzene SMILES: COC1=CC(=CC(=C1)Cl)OC

3,5-Difluoroaniline 98.0+%, TCI America™

CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro, 3,5-difluorobenzenamine, 3,5-difluorophenylamine, 5an, 3,5-difluoranilin, 3,5-difluoroanilin, 3,5 difluoroaniline, 3.5-difluoroaniline, pubchem2296, 3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N

Alfa Aesar™ 3-(4-Chlorophenoxy)-1,2-propanediol, 99%

CAS: 104-29-0 Molecular Formula: C9H11ClO3 Molecular Weight (g/mol): 202.634 MDL Number: MFCD00021990 InChI Key: MXOAEAUPQDYUQM-UHFFFAOYSA-N Synonym: 3-4-chlorophenoxy propane-1,2-diol PubChem CID: 7697 ChEBI: CHEBI:3642 IUPAC Name: 3-(4-chlorophenoxy)propane-1,2-diol SMILES: C1=CC(=CC=C1OCC(CO)O)Cl

Decachlorobiphenyl, SPEX CertiPrep™

CAS: 2051-24-3 Molecular Formula: C12Cl10 Molecular Weight (g/mol): 498.632 InChI Key: ONXPZLFXDMAPRO-UHFFFAOYSA-N PubChem CID: 16318 ChEBI: CHEBI:34666 IUPAC Name: 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

1,2,4-Trichlorobenzene, B&J Brand™, for GPC, GC and spectrophotometry, >98.0%, Honeywell Burdick & Jackson

CAS: 120-82-1 Molecular Formula: C6H3Cl3 Molecular Weight (g/mol): 181.44 InChI Key: PBKONEOXTCPAFI-UHFFFAOYSA-N Synonym: 1,2,4-trichlorbenzol PubChem CID: 13 ChEBI: CHEBI:28222 IUPAC Name: 1,2,4-trichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Cl

o-Fluorotoluene, 99%, Acros Organics™

CAS: 95-52-3 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.13 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 1-fluoro-2-methyl-benzene PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F

3-Fluorophenylboronic acid, 97%, ACROS Organics™

CAS: 768-35-4 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 InChI Key: KNXQDJCZSVHEIW-UHFFFAOYSA-N Synonym: 3-fluoro phenylboric acid PubChem CID: 2733986 IUPAC Name: (3-fluorophenyl)boronic acid SMILES: B(C1=CC(=CC=C1)F)(O)O

Alfa Aesar™ 1-Iodo-4-nitrobenzene, 98+%

CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: 1-iodo-4-nitro-benzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

Tetrafluorotetracyanoquinodimethane (purified by sublimation) 98.0+%, TCI America™

CAS: 29261-33-4 Molecular Formula: C12F4N4 Molecular Weight (g/mol): 276.154 MDL Number: MFCD00042382 InChI Key: IXHWGNYCZPISET-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane, 2,2'-perfluorocyclohexa-2,5-diene-1,4-diylidene dimalononitrile, tcnqf4, 2,3,5,6-tetrafluorotetracyanoquinodimethane, f4-tcnq, tetrafluorotetracyanoquinodimethane, 2-4-dicyanomethylidene-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene propanedinitrile, f4tcnq, tetrafluorotetracyanoquinodimethane anion radical, tetrafluorotetracyanoquinodimethane purifiedbysubl PubChem CID: 2733307 IUPAC Name: 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile SMILES: C(#N)C(=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F)C#N

1,4-Dibromobenzene 99.0+%, TCI America™

CAS: 106-37-6 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.906 MDL Number: MFCD00000089 InChI Key: SWJPEBQEEAHIGZ-UHFFFAOYSA-N Synonym: p-dibromobenzene, p-bromophenyl bromide, benzene, 1,4-dibromo, benzene, p-dibromo, p-benzene dibromide, 1,4-dibromo benzene, 1,4-dibromo-benzene, unii-9991w3m5hz, dibromobenzene, 1,4, labotest-bb ltbb002071 PubChem CID: 7804 ChEBI: CHEBI:37150 IUPAC Name: 1,4-dibromobenzene SMILES: C1=CC(=CC=C1Br)Br

Alfa Aesar™ 1,3,5-Trifluoro-2,4,6-triiodobenzene, 97%

CAS: 84322-56-5 Molecular Formula: C6F3I3 Molecular Weight (g/mol): 509.775 MDL Number: MFCD06248899 InChI Key: NTAZOPPTLZSXQH-UHFFFAOYSA-N Synonym: 1,3,5-trifluoro-2,4 PubChem CID: 3852430 IUPAC Name: 1,3,5-trifluoro-2,4,6-triiodobenzene SMILES: C1(=C(C(=C(C(=C1I)F)I)F)I)F

1-Bromo-4-nitrobenzene 99.0+%, TCI America™

CAS: 586-78-7 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD00007280 InChI Key: ZDFBKZUDCQQKAC-UHFFFAOYSA-N Synonym: 4-bromonitrobenzene, 4-nitrobromobenzene, p-bromonitrobenzene, benzene, 1-bromo-4-nitro, p-nitrobromobenzene, 4-nitrophenyl bromide, 4-bromo-1-nitrobenzene, p-nitrophenyl bromide, 1-bromo-4-nitro-benzene, ccris 3115 PubChem CID: 11466 IUPAC Name: 1-bromo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])Br

2-Bromotoluene, 99%, Acros Organics

CAS: 95-46-5 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000068 InChI Key: QSSXJPIWXQTSIX-UHFFFAOYSA-N Synonym: 1-methyl-2-bromobenzene PubChem CID: 7236 IUPAC Name: 1-bromo-2-methylbenzene SMILES: CC1=CC=CC=C1Br

Bromobenzene, 99%, Alfa Aesar™

CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: 1-bromobenzene PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: C1=CC=C(C=C1)Br

Fluconazole 98.0+%, TCI America™

CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: biocanol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

Alfa Aesar™ 1-Bromo-4-fluorobenzene, 99%

CAS: 460-00-4 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000342 InChI Key: AITNMTXHTIIIBB-UHFFFAOYSA-N Synonym: 1-fluoro-4-bromobenzene PubChem CID: 9993 IUPAC Name: 1-bromo-4-fluorobenzene SMILES: C1=CC(=CC=C1F)Br

Alfa Aesar™ 1-Bromo-2,3,4-trifluorobenzene, 99%

CAS: 176317-02-5 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.981 MDL Number: MFCD00013248 InChI Key: MUUAQFJJUGVBGB-UHFFFAOYSA-N Synonym: 1-bromo-2,3,4-trifluoro-benzene PubChem CID: 2733255 IUPAC Name: 1-bromo-2,3,4-trifluorobenzene SMILES: C1=CC(=C(C(=C1F)F)F)Br

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