Halophenols

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

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4-Chloro-2-nitrophenol, 98%, contains up to ca 10% water, Thermo Scientific Chemicals

CAS: 89-64-5 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.55 MDL Number: MFCD00007113 InChI Key: NWSIFTLPLKCTSX-UHFFFAOYSA-N Synonym: 2-nitro-4-chlorophenol,phenol, 4-chloro-2-nitro,unii-438lq62wnh,4-chloro-2-nitro-phenol,4-chloro-6-nitrophenol,acmc-209r2b,5-chloro-2-hydroxynitrobenzene,4-chloro-2-nitrophenol PubChem CID: 6980 IUPAC Name: 4-chloro-2-nitrophenol SMILES: OC1=CC=C(Cl)C=C1[N+]([O-])=O

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Specifications

PubChem CID	6980
CAS	89-64-5
Molecular Weight (g/mol)	173.55
MDL Number	MFCD00007113
SMILES	OC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	2-nitro-4-chlorophenol,phenol, 4-chloro-2-nitro,unii-438lq62wnh,4-chloro-2-nitro-phenol,4-chloro-6-nitrophenol,acmc-209r2b,5-chloro-2-hydroxynitrobenzene,4-chloro-2-nitrophenol
IUPAC Name	4-chloro-2-nitrophenol
InChI Key	NWSIFTLPLKCTSX-UHFFFAOYSA-N
Molecular Formula	C6H4ClNO3

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4-Amino-3-fluorophenol, 98%

CAS: 399-95-1 Molecular Formula: C₆H₆FNO Molecular Weight (g/mol): 127.12 InChI Key: MNPLTKHJEAFOCA-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79 PubChem CID: 2735919 IUPAC Name: 4-amino-3-fluorophenol SMILES: C1=CC(=C(C=C1O)F)N

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Specifications

PubChem CID	2735919
CAS	399-95-1
Molecular Weight (g/mol)	127.12
SMILES	C1=CC(=C(C=C1O)F)N
Synonym	3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79
IUPAC Name	4-amino-3-fluorophenol
InChI Key	MNPLTKHJEAFOCA-UHFFFAOYSA-N
Molecular Formula	C₆H₆FNO

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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

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Specifications

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

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3-Fluoro-4-hydroxybenzeneboronic acid, 97%

CAS: 182344-14-5 Molecular Formula: C6H6BFO3 Molecular Weight (g/mol): 155.919 MDL Number: MFCD06659838 InChI Key: OYNDLOJPYURCJG-UHFFFAOYSA-N Synonym: 3-fluoro-4-hydroxyphenyl boronic acid,4-borono-2-fluorophenol,boronic acid, 3-fluoro-4-hydroxyphenyl,3-fluoro-4-hydroxybenzeneboronic acid,pubchem18807,acmc-1c2s7,3-fluoro-4-hydroxy-phenylboronic acid,4-hydroxy-3-fluorophenyl boronic acid,3-fluoro-4-hydroxyphenyl-boronic acid PubChem CID: 23005361 IUPAC Name: (3-fluoro-4-hydroxyphenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)O)F)(O)O

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Specifications

PubChem CID	23005361
CAS	182344-14-5
Molecular Weight (g/mol)	155.919
MDL Number	MFCD06659838
SMILES	B(C1=CC(=C(C=C1)O)F)(O)O
Synonym	3-fluoro-4-hydroxyphenyl boronic acid,4-borono-2-fluorophenol,boronic acid, 3-fluoro-4-hydroxyphenyl,3-fluoro-4-hydroxybenzeneboronic acid,pubchem18807,acmc-1c2s7,3-fluoro-4-hydroxy-phenylboronic acid,4-hydroxy-3-fluorophenyl boronic acid,3-fluoro-4-hydroxyphenyl-boronic acid
IUPAC Name	(3-fluoro-4-hydroxyphenyl)boronic acid
InChI Key	OYNDLOJPYURCJG-UHFFFAOYSA-N
Molecular Formula	C6H6BFO3

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4-Chloro-3-fluorophenol, 98%, Thermo Scientific Chemicals

CAS: 348-60-7 Molecular Formula: C6H4ClFO Molecular Weight (g/mol): 146.55 MDL Number: MFCD00042583 InChI Key: XLHYAEBESNFTCA-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorophenol,4-chloro-3-fluoro-phenol,phenol, 4-chloro-3-fluoro,pubchem1493,acmc-1ctvv,3-fluoro-4-chloro phenol,3-fluoro-4-chloro-phenol,3-fluoro-4-chlorophenol;,4-chlor-3-fluor-phenol;,4-chloro-3-fluorophenol; PubChem CID: 2724523 IUPAC Name: 4-chloro-3-fluorophenol SMILES: OC1=CC=C(Cl)C(F)=C1

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Specifications

PubChem CID	2724523
CAS	348-60-7
Molecular Weight (g/mol)	146.55
MDL Number	MFCD00042583
SMILES	OC1=CC=C(Cl)C(F)=C1
Synonym	3-fluoro-4-chlorophenol,4-chloro-3-fluoro-phenol,phenol, 4-chloro-3-fluoro,pubchem1493,acmc-1ctvv,3-fluoro-4-chloro phenol,3-fluoro-4-chloro-phenol,3-fluoro-4-chlorophenol;,4-chlor-3-fluor-phenol;,4-chloro-3-fluorophenol;
IUPAC Name	4-chloro-3-fluorophenol
InChI Key	XLHYAEBESNFTCA-UHFFFAOYSA-N
Molecular Formula	C6H4ClFO

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5-Bromo-3-methoxysalicylaldehyde, 97%

CAS: 5034-74-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00016593 InChI Key: MMFKBTPDEVLIOR-UHFFFAOYSA-N Synonym: 5-bromo-3-methoxysalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-methoxy,5-bromo-2-vanillin,acmc-20am5q,3-methoxy-5-bromosalicylaldehyde,5bromo-2-hydroxy-3-methoxy-benzaldehyde,5-bromo-2-hydroxy-3-methoxy-benzaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-methoxy,5-bromo-2-hydroxy-3-methoxybenzaldehyde PubChem CID: 262238 IUPAC Name: 5-bromo-2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=C(C(=CC(=C1)Br)C=O)O

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Specifications

PubChem CID	262238
CAS	5034-74-2
Molecular Weight (g/mol)	231.045
MDL Number	MFCD00016593
SMILES	COC1=C(C(=CC(=C1)Br)C=O)O
Synonym	5-bromo-3-methoxysalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-methoxy,5-bromo-2-vanillin,acmc-20am5q,3-methoxy-5-bromosalicylaldehyde,5bromo-2-hydroxy-3-methoxy-benzaldehyde,5-bromo-2-hydroxy-3-methoxy-benzaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-methoxy,5-bromo-2-hydroxy-3-methoxybenzaldehyde
IUPAC Name	5-bromo-2-hydroxy-3-methoxybenzaldehyde
InChI Key	MMFKBTPDEVLIOR-UHFFFAOYSA-N
Molecular Formula	C8H7BrO3

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4-Bromo-2-fluorophenol, 97+%

CAS: 2105-94-4 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 191.00 MDL Number: MFCD00011722 InChI Key: RYVOZMPTISNBDB-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene PubChem CID: 2724981 IUPAC Name: 4-bromo-2-fluorophenol SMILES: OC1=CC=C(Br)C=C1F

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Specifications

PubChem CID	2724981
CAS	2105-94-4
Molecular Weight (g/mol)	191.00
MDL Number	MFCD00011722
SMILES	OC1=CC=C(Br)C=C1F
Synonym	2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene
IUPAC Name	4-bromo-2-fluorophenol
InChI Key	RYVOZMPTISNBDB-UHFFFAOYSA-N
Molecular Formula	C6H4BrFO

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2,3-Difluoro-4-hydroxybenzonitrile, 95%, Thermo Scientific Chemicals

CAS: 126162-38-7 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.10 MDL Number: MFCD00269596 InChI Key: UIJJJWADIVZXNT-UHFFFAOYSA-N PubChem CID: 2736978 IUPAC Name: 2,3-difluoro-4-hydroxybenzonitrile SMILES: OC1=C(F)C(F)=C(C=C1)C#N

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Specifications

PubChem CID	2736978
CAS	126162-38-7
Molecular Weight (g/mol)	155.10
MDL Number	MFCD00269596
SMILES	OC1=C(F)C(F)=C(C=C1)C#N
IUPAC Name	2,3-difluoro-4-hydroxybenzonitrile
InChI Key	UIJJJWADIVZXNT-UHFFFAOYSA-N
Molecular Formula	C7H3F2NO

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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-]

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Specifications

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

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2,3,5,6-Tetrafluorophenol, 98%

CAS: 769-39-1 Molecular Formula: C₆H₂F₄O Molecular Weight (g/mol): 166.07 MDL Number: MFCD00002157 InChI Key: PBYIIRLNRCVTMQ-UHFFFAOYSA-N Synonym: phenol, 2,3,5,6-tetrafluoro,unii-tna118i5tg,2,3,5,6-tetrafluoro phenol,tna118i5tg,2,3,5,6-tetrafluor-phenol,ccris 5843,zlchem 411,pubchem2135,acmc-1bc5w,2,3,5,6tetrafluorophenol PubChem CID: 69858 IUPAC Name: 2,3,5,6-tetrafluorophenol SMILES: C1=C(C(=C(C(=C1F)F)O)F)F

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Specifications

PubChem CID	69858
CAS	769-39-1
Molecular Weight (g/mol)	166.07
MDL Number	MFCD00002157
SMILES	C1=C(C(=C(C(=C1F)F)O)F)F
Synonym	phenol, 2,3,5,6-tetrafluoro,unii-tna118i5tg,2,3,5,6-tetrafluoro phenol,tna118i5tg,2,3,5,6-tetrafluor-phenol,ccris 5843,zlchem 411,pubchem2135,acmc-1bc5w,2,3,5,6tetrafluorophenol
IUPAC Name	2,3,5,6-tetrafluorophenol
InChI Key	PBYIIRLNRCVTMQ-UHFFFAOYSA-N
Molecular Formula	C₆H₂F₄O

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2-Fluoro-4-nitrophenol, 98+%

CAS: 403-19-0 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD00051970 InChI Key: ORPHLVJBJOCHBR-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrophenol,phenol, 2-fluoro-4-nitro,3-fluoro-4-hydroxynitrobenzene,2-fluoro-4-nitro-phenol,pubchem4122,4-nitro-2-fluorophenol,2-fluoro-4-nitro phenol,acmc-1cb9t,ksc493s7t PubChem CID: 9825 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)O

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Specifications

PubChem CID	9825
CAS	403-19-0
Molecular Weight (g/mol)	157.1
MDL Number	MFCD00051970
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)O
Synonym	2-fluoro-4-nitrophenol,phenol, 2-fluoro-4-nitro,3-fluoro-4-hydroxynitrobenzene,2-fluoro-4-nitro-phenol,pubchem4122,4-nitro-2-fluorophenol,2-fluoro-4-nitro phenol,acmc-1cb9t,ksc493s7t
InChI Key	ORPHLVJBJOCHBR-UHFFFAOYSA-N
Molecular Formula	C6H4FNO3

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3-Fluorophenol, 98%

CAS: 372-20-3 Molecular Formula: C₆H₅FO Molecular Weight (g/mol): 112.1 MDL Number: MFCD00002254 InChI Key: SJTBRFHBXDZMPS-UHFFFAOYSA-N Synonym: m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol PubChem CID: 9743 IUPAC Name: 3-fluorophenol SMILES: C1=CC(=CC(=C1)F)O

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PubChem CID	9743
CAS	372-20-3
Molecular Weight (g/mol)	112.1
MDL Number	MFCD00002254
SMILES	C1=CC(=CC(=C1)F)O
Synonym	m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol
IUPAC Name	3-fluorophenol
InChI Key	SJTBRFHBXDZMPS-UHFFFAOYSA-N
Molecular Formula	C₆H₅FO

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3-Fluorophenol, 98%

CAS: 372-20-3 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.103 MDL Number: MFCD00002254 InChI Key: SJTBRFHBXDZMPS-UHFFFAOYSA-N Synonym: m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol PubChem CID: 9743 IUPAC Name: 3-fluorophenol SMILES: C1=CC(=CC(=C1)F)O

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Specifications

PubChem CID	9743
CAS	372-20-3
Molecular Weight (g/mol)	112.103
MDL Number	MFCD00002254
SMILES	C1=CC(=CC(=C1)F)O
Synonym	m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol
IUPAC Name	3-fluorophenol
InChI Key	SJTBRFHBXDZMPS-UHFFFAOYSA-N
Molecular Formula	C6H5FO

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3-Bromophenol, 98%

CAS: 591-20-8 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.01 MDL Number: MFCD00002253 InChI Key: MNOJRWOWILAHAV-UHFFFAOYSA-N Synonym: m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol PubChem CID: 11563 IUPAC Name: 3-bromophenol SMILES: OC1=CC=CC(Br)=C1

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Specifications

PubChem CID	11563
CAS	591-20-8
Molecular Weight (g/mol)	173.01
MDL Number	MFCD00002253
SMILES	OC1=CC=CC(Br)=C1
Synonym	m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol
IUPAC Name	3-bromophenol
InChI Key	MNOJRWOWILAHAV-UHFFFAOYSA-N
Molecular Formula	C6H5BrO

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4,5-Difluoro-2-hydroxybenzonitrile, 99%, Thermo Scientific Chemicals

CAS: 186590-36-3 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.10 MDL Number: MFCD08275287 InChI Key: ROLMZTIHUMKEAI-UHFFFAOYSA-N Synonym: 4,5-difluoro-2-hydroxy-benzonitrile,benzonitrile, 4,5-difluoro-2-hydroxy,acmc-1c7c6,2-cyano-4,5-difluorophenol,4,5-difluoro-2-hydroxybenzenecarbonitrile,benzonitrile, 4,5-difluoro-2-hydroxy-9ci PubChem CID: 23148985 IUPAC Name: 4,5-difluoro-2-hydroxybenzonitrile SMILES: OC1=CC(F)=C(F)C=C1C#N

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Specifications

PubChem CID	23148985
CAS	186590-36-3
Molecular Weight (g/mol)	155.10
MDL Number	MFCD08275287
SMILES	OC1=CC(F)=C(F)C=C1C#N
Synonym	4,5-difluoro-2-hydroxy-benzonitrile,benzonitrile, 4,5-difluoro-2-hydroxy,acmc-1c7c6,2-cyano-4,5-difluorophenol,4,5-difluoro-2-hydroxybenzenecarbonitrile,benzonitrile, 4,5-difluoro-2-hydroxy-9ci
IUPAC Name	4,5-difluoro-2-hydroxybenzonitrile
InChI Key	ROLMZTIHUMKEAI-UHFFFAOYSA-N
Molecular Formula	C7H3F2NO

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