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Halophenols

Organic compounds derived from phenols that contain a halogen atom (bromine, chlorine, fluorine, iodine).
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1

Tetraiodofluorescein 95.0+%, TCI America™

CAS: 15905-32-5 Molecular Formula: C20H8I4O5 Molecular Weight (g/mol): 835.90 MDL Number: MFCD00005044 InChI Key: OALHHIHQOFIMEF-UHFFFAOYSA-N Synonym: erythrosin b,iodeosin,tetraiodofluorescein,erythrosine acid,erythrosine, phenolic,2,4,5,7-erythrosin,2',4',5',7'-tetraiodofluorescein,erythrosine,unii-1a878fzq9b,aizen erythrosine PubChem CID: 3259 IUPAC Name: 3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one SMILES: OC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=C1C=CC=C3)C1=CC(I)=C(O)C(I)=C1O2

PubChem CID 3259
CAS 15905-32-5
Molecular Weight (g/mol) 835.90
MDL Number MFCD00005044
SMILES OC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=C1C=CC=C3)C1=CC(I)=C(O)C(I)=C1O2
Synonym erythrosin b,iodeosin,tetraiodofluorescein,erythrosine acid,erythrosine, phenolic,2,4,5,7-erythrosin,2',4',5',7'-tetraiodofluorescein,erythrosine,unii-1a878fzq9b,aizen erythrosine
IUPAC Name 3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
InChI Key OALHHIHQOFIMEF-UHFFFAOYSA-N
Molecular Formula C20H8I4O5
2

3-Bromo-4-hydroxybenzoic Acid Hydrate 97.0+%, TCI America™

CAS: 14348-41-5 Molecular Formula: C7H5BrO3 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00017547 InChI Key: XMEQDAIDOBVHEK-UHFFFAOYSA-N Synonym: 3-bromo-4-hydroxy-benzoic acid,benzoic acid, 3-bromo-4-hydroxy,acmc-20aix6,3-bromo-4-hydroxybenzoicacid,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoicacidhydrate,3-bromo-4-hydroxybenzoic acid 10g PubChem CID: 84368 IUPAC Name: 3-bromo-4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C(Br)=C1

PubChem CID 84368
CAS 14348-41-5
Molecular Weight (g/mol) 217.02
MDL Number MFCD00017547
SMILES OC(=O)C1=CC=C(O)C(Br)=C1
Synonym 3-bromo-4-hydroxy-benzoic acid,benzoic acid, 3-bromo-4-hydroxy,acmc-20aix6,3-bromo-4-hydroxybenzoicacid,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoicacidhydrate,3-bromo-4-hydroxybenzoic acid 10g
IUPAC Name 3-bromo-4-hydroxybenzoic acid
InChI Key XMEQDAIDOBVHEK-UHFFFAOYSA-N
Molecular Formula C7H5BrO3
3

2,4,6-Triiodophenol 98.0+%, TCI America™

CAS: 609-23-4 Molecular Formula: C6H3I3O Molecular Weight (g/mol): 471.802 MDL Number: MFCD00002179 InChI Key: VAPDZNUFNKUROY-UHFFFAOYSA-N Synonym: phenol, 2,4,6-triiodo,triiodophenol,unii-9rb2r81a7u,2,4,6-trijodfenol,2,4,6-trijodfenol czech,2,4,6-triiodo-phenol,chembl81721,2,4,6-triiodo-phenol tip,2,6-triiodophenol,phenol,4,6-triiodo PubChem CID: 11862 IUPAC Name: 2,4,6-triiodophenol SMILES: C1=C(C=C(C(=C1I)O)I)I

PubChem CID 11862
CAS 609-23-4
Molecular Weight (g/mol) 471.802
MDL Number MFCD00002179
SMILES C1=C(C=C(C(=C1I)O)I)I
Synonym phenol, 2,4,6-triiodo,triiodophenol,unii-9rb2r81a7u,2,4,6-trijodfenol,2,4,6-trijodfenol czech,2,4,6-triiodo-phenol,chembl81721,2,4,6-triiodo-phenol tip,2,6-triiodophenol,phenol,4,6-triiodo
IUPAC Name 2,4,6-triiodophenol
InChI Key VAPDZNUFNKUROY-UHFFFAOYSA-N
Molecular Formula C6H3I3O
4

3-Hydroxy-4-iodobenzoic Acid 98.0+%, TCI America™

CAS: 58123-77-6 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.02 MDL Number: MFCD02068386 InChI Key: UABBBWVTEWIIMN-UHFFFAOYSA-N Synonym: 3-hydroxy-4-iodo-benzoic acid,benzoic acid, 3-hydroxy-4-iodo,acmc-1ay71,ksc497o7h,4-iodo-3-hydroxybenzoic acid,4-iodo-3-hydroxy-benzoic acid,3-hydroxy-4-iodobenzoic acid,4-iodo-3-hydroxy benzoic acid PubChem CID: 736854 IUPAC Name: 3-hydroxy-4-iodobenzoic acid SMILES: OC(=O)C1=CC(O)=C(I)C=C1

PubChem CID 736854
CAS 58123-77-6
Molecular Weight (g/mol) 264.02
MDL Number MFCD02068386
SMILES OC(=O)C1=CC(O)=C(I)C=C1
Synonym 3-hydroxy-4-iodo-benzoic acid,benzoic acid, 3-hydroxy-4-iodo,acmc-1ay71,ksc497o7h,4-iodo-3-hydroxybenzoic acid,4-iodo-3-hydroxy-benzoic acid,3-hydroxy-4-iodobenzoic acid,4-iodo-3-hydroxy benzoic acid
IUPAC Name 3-hydroxy-4-iodobenzoic acid
InChI Key UABBBWVTEWIIMN-UHFFFAOYSA-N
Molecular Formula C7H5IO3
5

4-Amino-3-chlorophenol Hydrochloride 98.0+%, TCI America™

CAS: 52671-64-4 Molecular Formula: C6H7Cl2NO Molecular Weight (g/mol): 180.028 MDL Number: MFCD00143110 InChI Key: RFJVQGMBFQGZPV-UHFFFAOYSA-N Synonym: 4-amino-3-chlorophenol hydrochloride,4-amino-3-chlorophenol hcl,2-chloro-4-hydroxyaniline hydrochloride,phenol, 4-amino-3-chloro-, hydrochloride,4-azanyl-3-chloranyl-phenol hydrochloride,c6h6clno.hcl,acmc-209l0t,ksc495i8f,4-amino-3-chlorophenol, chloride,3-chloro-4-aminophenol hydrochloride PubChem CID: 12598190 IUPAC Name: 4-amino-3-chlorophenol;hydrochloride SMILES: C1=CC(=C(C=C1O)Cl)N.Cl

PubChem CID 12598190
CAS 52671-64-4
Molecular Weight (g/mol) 180.028
MDL Number MFCD00143110
SMILES C1=CC(=C(C=C1O)Cl)N.Cl
Synonym 4-amino-3-chlorophenol hydrochloride,4-amino-3-chlorophenol hcl,2-chloro-4-hydroxyaniline hydrochloride,phenol, 4-amino-3-chloro-, hydrochloride,4-azanyl-3-chloranyl-phenol hydrochloride,c6h6clno.hcl,acmc-209l0t,ksc495i8f,4-amino-3-chlorophenol, chloride,3-chloro-4-aminophenol hydrochloride
IUPAC Name 4-amino-3-chlorophenol;hydrochloride
InChI Key RFJVQGMBFQGZPV-UHFFFAOYSA-N
Molecular Formula C6H7Cl2NO
6

Fenhexamid 98.0+%, TCI America™

CAS: 126833-17-8 Molecular Formula: C14H17Cl2NO2 Molecular Weight (g/mol): 302.20 MDL Number: MFCD03095700 InChI Key: VDLGAVXLJYLFDH-UHFFFAOYSA-N Synonym: fenhexamid,elevate,teldor,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexanecarboxamide,fenhexamide,decree,fenhexamid iso:bsi,unii-q68c3c9p1u,cyclohexanecarboxamide, n-2,3-dichloro-4-hydroxyphenyl-1-methyl,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexane-1-carboxamide PubChem CID: 213031 ChEBI: CHEBI:81853 IUPAC Name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide SMILES: CC1(CCCCC1)C(=O)NC1=CC=C(O)C(Cl)=C1Cl

PubChem CID 213031
CAS 126833-17-8
Molecular Weight (g/mol) 302.20
ChEBI CHEBI:81853
MDL Number MFCD03095700
SMILES CC1(CCCCC1)C(=O)NC1=CC=C(O)C(Cl)=C1Cl
Synonym fenhexamid,elevate,teldor,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexanecarboxamide,fenhexamide,decree,fenhexamid iso:bsi,unii-q68c3c9p1u,cyclohexanecarboxamide, n-2,3-dichloro-4-hydroxyphenyl-1-methyl,n-2,3-dichloro-4-hydroxyphenyl-1-methylcyclohexane-1-carboxamide
IUPAC Name N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
InChI Key VDLGAVXLJYLFDH-UHFFFAOYSA-N
Molecular Formula C14H17Cl2NO2
7

2,4-Difluoro-5-nitrophenol, 98%

CAS: 113512-57-5 Molecular Formula: C6H3F2NO3 Molecular Weight (g/mol): 175.091 MDL Number: MFCD08443942 InChI Key: SMRYCTJAGPDVEH-UHFFFAOYSA-N Synonym: 2,4-difluoro-5-nitrobenzenol,phenol, 2,4-difluoro-5-nitro,difluoronitrobenzenol,acmc-209wyr,2,4-difluoro-5-hydroxynitrobenzene PubChem CID: 10921024 IUPAC Name: 2,4-difluoro-5-nitrophenol SMILES: C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]

PubChem CID 10921024
CAS 113512-57-5
Molecular Weight (g/mol) 175.091
MDL Number MFCD08443942
SMILES C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]
Synonym 2,4-difluoro-5-nitrobenzenol,phenol, 2,4-difluoro-5-nitro,difluoronitrobenzenol,acmc-209wyr,2,4-difluoro-5-hydroxynitrobenzene
IUPAC Name 2,4-difluoro-5-nitrophenol
InChI Key SMRYCTJAGPDVEH-UHFFFAOYSA-N
Molecular Formula C6H3F2NO3
8

3,4-Dichlorophenol, 97%

CAS: 95-77-2 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002258 InChI Key: WDNBURPWRNALGP-UHFFFAOYSA-N PubChem CID: 7258 ChEBI: CHEBI:34323 IUPAC Name: 3,4-dichlorophenol SMILES: OC1=CC=C(Cl)C(Cl)=C1

PubChem CID 7258
CAS 95-77-2
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:34323
MDL Number MFCD00002258
SMILES OC1=CC=C(Cl)C(Cl)=C1
IUPAC Name 3,4-dichlorophenol
InChI Key WDNBURPWRNALGP-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
9

4-chlorophenol, 99+%

CAS: 106-48-9 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.56 MDL Number: MFCD00002318 InChI Key: WXNZTHHGJRFXKQ-UHFFFAOYSA-N Synonym: p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene PubChem CID: 4684 ChEBI: CHEBI:28078 IUPAC Name: 4-chlorophenol SMILES: C1=CC(=CC=C1O)Cl

PubChem CID 4684
CAS 106-48-9
Molecular Weight (g/mol) 128.56
ChEBI CHEBI:28078
MDL Number MFCD00002318
SMILES C1=CC(=CC=C1O)Cl
Synonym p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene
IUPAC Name 4-chlorophenol
InChI Key WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Molecular Formula C6H5ClO
10

2-Chlorophenol, 98+%

CAS: 95-57-8 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.56 MDL Number: MFCD00002159 InChI Key: ISPYQTSUDJAMAB-UHFFFAOYSA-N Synonym: o-chlorophenol,phenol, 2-chloro,2-hydroxychlorobenzene,o-chlorphenol,o-chlorophenic acid,phenol, o-chloro,2-chloro-1-hydroxybenzene,chlorophenol,septi-kleen,2-chloro-phenol PubChem CID: 7245 ChEBI: CHEBI:47083 IUPAC Name: 2-chlorophenol SMILES: C1=CC=C(C(=C1)O)Cl

PubChem CID 7245
CAS 95-57-8
Molecular Weight (g/mol) 128.56
ChEBI CHEBI:47083
MDL Number MFCD00002159
SMILES C1=CC=C(C(=C1)O)Cl
Synonym o-chlorophenol,phenol, 2-chloro,2-hydroxychlorobenzene,o-chlorphenol,o-chlorophenic acid,phenol, o-chloro,2-chloro-1-hydroxybenzene,chlorophenol,septi-kleen,2-chloro-phenol
IUPAC Name 2-chlorophenol
InChI Key ISPYQTSUDJAMAB-UHFFFAOYSA-N
Molecular Formula C6H5ClO
11

2,4,6-Trichlorophenol, 98%

CAS: 88-06-2 Molecular Formula: C6H3Cl3O Molecular Weight (g/mol): 197.45 MDL Number: MFCD00002172 InChI Key: LINPIYWFGCPVIE-UHFFFAOYSA-N Synonym: dowicide 2s,phenachlor,phenol, 2,4,6-trichloro,omal,phenaclor,rcra waste number u231,dowcide 2s,1,3,5-trichloro-2-hydroxybenzene,2,4,6-trichlorfenol,unii-mhs8c5bauz PubChem CID: 6914 ChEBI: CHEBI:28755 IUPAC Name: 2,4,6-trichlorophenol SMILES: C1=C(C=C(C(=C1Cl)O)Cl)Cl

PubChem CID 6914
CAS 88-06-2
Molecular Weight (g/mol) 197.45
ChEBI CHEBI:28755
MDL Number MFCD00002172
SMILES C1=C(C=C(C(=C1Cl)O)Cl)Cl
Synonym dowicide 2s,phenachlor,phenol, 2,4,6-trichloro,omal,phenaclor,rcra waste number u231,dowcide 2s,1,3,5-trichloro-2-hydroxybenzene,2,4,6-trichlorfenol,unii-mhs8c5bauz
IUPAC Name 2,4,6-trichlorophenol
InChI Key LINPIYWFGCPVIE-UHFFFAOYSA-N
Molecular Formula C6H3Cl3O
12

2-Fluoro-4-hydroxybenzoic acid, 98%, Thermo Scientific™

CAS: 65145-13-3 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD01310985 InChI Key: NXWTWYULZRDBSA-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzoic acid,benzoic acid, 2-fluoro-4-hydroxy,pubchem2608,acmc-1b9jp,4-hydroxyfluorobenzoic acid,frinton fr-2445,ksc352q5p,2-fluoro-4-hydroxybenzoicacid,4-hydroxy-2-fluorobenzoic acid,2-fluoro4-hydroxy-benzoic acid PubChem CID: 2783398 IUPAC Name: 2-fluoro-4-hydroxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(O)C=C1

PubChem CID 2783398
CAS 65145-13-3
Molecular Weight (g/mol) 156.11
MDL Number MFCD01310985
SMILES OC(=O)C1=C(F)C=C(O)C=C1
Synonym 2-fluoro-4-hydroxy-benzoic acid,benzoic acid, 2-fluoro-4-hydroxy,pubchem2608,acmc-1b9jp,4-hydroxyfluorobenzoic acid,frinton fr-2445,ksc352q5p,2-fluoro-4-hydroxybenzoicacid,4-hydroxy-2-fluorobenzoic acid,2-fluoro4-hydroxy-benzoic acid
IUPAC Name 2-fluoro-4-hydroxybenzoic acid
InChI Key NXWTWYULZRDBSA-UHFFFAOYSA-N
Molecular Formula C7H5FO3
13

3-Iodophenol, 99%

CAS: 626-02-8 Molecular Formula: C6H5IO Molecular Weight (g/mol): 220 MDL Number: MFCD00002261 InChI Key: FXTKWBZFNQHAAO-UHFFFAOYSA-N Synonym: m-iodophenol,phenol, 3-iodo,m-hydroxyiodobenzene,3-jodphenol,phenol, m-iodo,3-jodphenol german,m-jodphenol,3-iodo-phenol,5-iodophenol,pubchem3968 PubChem CID: 12272 ChEBI: CHEBI:33439 IUPAC Name: 3-iodophenol SMILES: C1=CC(=CC(=C1)I)O

PubChem CID 12272
CAS 626-02-8
Molecular Weight (g/mol) 220
ChEBI CHEBI:33439
MDL Number MFCD00002261
SMILES C1=CC(=CC(=C1)I)O
Synonym m-iodophenol,phenol, 3-iodo,m-hydroxyiodobenzene,3-jodphenol,phenol, m-iodo,3-jodphenol german,m-jodphenol,3-iodo-phenol,5-iodophenol,pubchem3968
IUPAC Name 3-iodophenol
InChI Key FXTKWBZFNQHAAO-UHFFFAOYSA-N
Molecular Formula C6H5IO
14

3-Chloro-4-hydroxyacetanilide, 98%

CAS: 3964-54-3 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD01318123 InChI Key: JULKJDRBSRRBHT-UHFFFAOYSA-N Synonym: n-3-chloro-4-hydroxyphenyl acetamide,3-chloro-4-hydroxyacetanilide,4-acetylamino-2-chlorophenol,2-chloro-4-acetamidophenol,acetamide, n-3-chloro-4-hydroxyphenyl,3'-chloro-4'-hydroxyacetanilide,zlchem 1169,paracetamol impurity c,chloro-4-acetamidophenol,3-chloro-4-hydroxyacet anilide PubChem CID: 77579 IUPAC Name: N-(3-chloro-4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C(Cl)=C1

PubChem CID 77579
CAS 3964-54-3
Molecular Weight (g/mol) 185.61
MDL Number MFCD01318123
SMILES CC(=O)NC1=CC=C(O)C(Cl)=C1
Synonym n-3-chloro-4-hydroxyphenyl acetamide,3-chloro-4-hydroxyacetanilide,4-acetylamino-2-chlorophenol,2-chloro-4-acetamidophenol,acetamide, n-3-chloro-4-hydroxyphenyl,3'-chloro-4'-hydroxyacetanilide,zlchem 1169,paracetamol impurity c,chloro-4-acetamidophenol,3-chloro-4-hydroxyacet anilide
IUPAC Name N-(3-chloro-4-hydroxyphenyl)acetamide
InChI Key JULKJDRBSRRBHT-UHFFFAOYSA-N
Molecular Formula C8H8ClNO2
15

2-Chloro-5-nitrophenol, 98%

CAS: 619-10-3 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.55 MDL Number: MFCD01571825 InChI Key: BUMGQSCPTLELLS-UHFFFAOYSA-N Synonym: phenol, 2-chloro-5-nitro,6-chloro-3-nitrophenol,2-chloro-5-nitro-phenol,pubchem1475,acmc-209mxh,2-chloro-5-nitrofenol,5-nitro-2-chlorophenol,2-chloro-5-nitro phenol,ksc494c3h,4-chloro-3-hydroxynitrobenzene PubChem CID: 69264 IUPAC Name: 2-chloro-5-nitrophenol SMILES: OC1=CC(=CC=C1Cl)[N+]([O-])=O

PubChem CID 69264
CAS 619-10-3
Molecular Weight (g/mol) 173.55
MDL Number MFCD01571825
SMILES OC1=CC(=CC=C1Cl)[N+]([O-])=O
Synonym phenol, 2-chloro-5-nitro,6-chloro-3-nitrophenol,2-chloro-5-nitro-phenol,pubchem1475,acmc-209mxh,2-chloro-5-nitrofenol,5-nitro-2-chlorophenol,2-chloro-5-nitro phenol,ksc494c3h,4-chloro-3-hydroxynitrobenzene
IUPAC Name 2-chloro-5-nitrophenol
InChI Key BUMGQSCPTLELLS-UHFFFAOYSA-N
Molecular Formula C6H4ClNO3