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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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-Iodophenol, 99%

CAS: 540-38-5 Molecular Formula: C6H5IO Molecular Weight (g/mol): 220.01 MDL Number: MFCD00002327 InChI Key: VSMDINRNYYEDRN-UHFFFAOYSA-N Synonym: p-iodophenol,phenol, 4-iodo,phenol, p-iodo,4-hydroxyiodobenzene,p-hydroxyiodobenzene,4-hydroxyphenyl iodide,4-iodo-phenol,unii-bh194bak0b,ccris 668,bh194bak0b PubChem CID: 10894 ChEBI: CHEBI:43521 IUPAC Name: 4-iodophenol SMILES: OC1=CC=C(I)C=C1

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PubChem CID	10894
CAS	540-38-5
Molecular Weight (g/mol)	220.01
ChEBI	CHEBI:43521
MDL Number	MFCD00002327
SMILES	OC1=CC=C(I)C=C1
Synonym	p-iodophenol,phenol, 4-iodo,phenol, p-iodo,4-hydroxyiodobenzene,p-hydroxyiodobenzene,4-hydroxyphenyl iodide,4-iodo-phenol,unii-bh194bak0b,ccris 668,bh194bak0b
IUPAC Name	4-iodophenol
InChI Key	VSMDINRNYYEDRN-UHFFFAOYSA-N
Molecular Formula	C6H5IO

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2-Chlorophenol, 99%

CAS: 95-57-8 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.555 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

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Specifications

PubChem CID	7245
CAS	95-57-8
Molecular Weight (g/mol)	128.555
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

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4-Bromo-2-chlorophenol, 98%

CAS: 3964-56-5 Molecular Formula: C6H4BrClO Molecular Weight (g/mol): 207.45 MDL Number: MFCD00002166 InChI Key: VIBJPUXLAKVICD-UHFFFAOYSA-N Synonym: 2-chloro-4-bromophenol,phenol, 4-bromo-2-chloro,phenol, 4-bromochloro,unii-994sj34d8p,4-bromo-2-chloro-phenol,attercop-chm at106179,4-bromo-2-chlorophenol 25gr,4-bromo-chlorophenol,pubchem3596,acmc-209j6p PubChem CID: 19859 ChEBI: CHEBI:38852 IUPAC Name: 4-bromo-2-chlorophenol SMILES: OC1=CC=C(Br)C=C1Cl

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Specifications

PubChem CID	19859
CAS	3964-56-5
Molecular Weight (g/mol)	207.45
ChEBI	CHEBI:38852
MDL Number	MFCD00002166
SMILES	OC1=CC=C(Br)C=C1Cl
Synonym	2-chloro-4-bromophenol,phenol, 4-bromo-2-chloro,phenol, 4-bromochloro,unii-994sj34d8p,4-bromo-2-chloro-phenol,attercop-chm at106179,4-bromo-2-chlorophenol 25gr,4-bromo-chlorophenol,pubchem3596,acmc-209j6p
IUPAC Name	4-bromo-2-chlorophenol
InChI Key	VIBJPUXLAKVICD-UHFFFAOYSA-N
Molecular Formula	C6H4BrClO

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2-Fluorophenol, 98%

CAS: 367-12-4 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.10 MDL Number: MFCD00002155 InChI Key: HFHFGHLXUCOHLN-UHFFFAOYSA-N Synonym: o-fluorophenol,phenol, 2-fluoro,phenol, o-fluoro,1-fluoro-2-hydroxybenzene,2-fluorohydroxybenzene,fluorophenol,unii-i9ow1nly9r,2-fluoro-phenol,phenol, fluoro,ccris 1226 PubChem CID: 9707 IUPAC Name: 2-fluorophenol SMILES: OC1=CC=CC=C1F

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PubChem CID	9707
CAS	367-12-4
Molecular Weight (g/mol)	112.10
MDL Number	MFCD00002155
SMILES	OC1=CC=CC=C1F
Synonym	o-fluorophenol,phenol, 2-fluoro,phenol, o-fluoro,1-fluoro-2-hydroxybenzene,2-fluorohydroxybenzene,fluorophenol,unii-i9ow1nly9r,2-fluoro-phenol,phenol, fluoro,ccris 1226
IUPAC Name	2-fluorophenol
InChI Key	HFHFGHLXUCOHLN-UHFFFAOYSA-N
Molecular Formula	C6H5FO

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5-Bromo-2-nitrophenol, 96%

CAS: 27684-84-0 Molecular Formula: C6H4BrNO3 Molecular Weight (g/mol): 218.006 MDL Number: MFCD03095027 InChI Key: DTWHNSNSUBKGTC-UHFFFAOYSA-N Synonym: 5-bromo-2-nitrophenol,phenol, 5-bromo-2-nitro,3-bromo-6-nitrophenol,4-bromo-2-hydroxynitrobenzene,2-nitro-5-bromophenol,5-bromo-2-nitro-phenol,phenol,5-bromo-2-nitro,pubchem16073,acmc-1cct0,5-bromanyl-2-nitro-phenol PubChem CID: 13970496 SMILES: C1=CC(=C(C=C1Br)O)[N+](=O)[O-]

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Specifications

PubChem CID	13970496
CAS	27684-84-0
Molecular Weight (g/mol)	218.006
MDL Number	MFCD03095027
SMILES	C1=CC(=C(C=C1Br)O)[N+](=O)[O-]
Synonym	5-bromo-2-nitrophenol,phenol, 5-bromo-2-nitro,3-bromo-6-nitrophenol,4-bromo-2-hydroxynitrobenzene,2-nitro-5-bromophenol,5-bromo-2-nitro-phenol,phenol,5-bromo-2-nitro,pubchem16073,acmc-1cct0,5-bromanyl-2-nitro-phenol
InChI Key	DTWHNSNSUBKGTC-UHFFFAOYSA-N
Molecular Formula	C6H4BrNO3

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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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2,5-Dichlorophenol, 98%

CAS: 583-78-8 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002174 InChI Key: RANCECPPZPIPNO-UHFFFAOYSA-N Synonym: phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003 PubChem CID: 66 ChEBI: CHEBI:27929 IUPAC Name: 2,5-dichlorophenol SMILES: OC1=CC(Cl)=CC=C1Cl

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Specifications

PubChem CID	66
CAS	583-78-8
Molecular Weight (g/mol)	163.00
ChEBI	CHEBI:27929
MDL Number	MFCD00002174
SMILES	OC1=CC(Cl)=CC=C1Cl
Synonym	phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003
IUPAC Name	2,5-dichlorophenol
InChI Key	RANCECPPZPIPNO-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2O

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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

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Specifications

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

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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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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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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-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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Specifications

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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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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2-Chloro-5-fluorophenol, 98%

CAS: 3827-49-4 Molecular Formula: C6H4ClFO Molecular Weight (g/mol): 146.55 MDL Number: MFCD00042524 InChI Key: CMQOZIKIOASEIN-UHFFFAOYSA-N Synonym: 2-chloro-5-fluoro-phenol,pubchem2146,2-chloro-5-fluorphenol,acmc-209iz2,ksc226k0t,attercop-chm at137231 PubChem CID: 2724522 IUPAC Name: 2-chloro-5-fluorophenol SMILES: OC1=CC(F)=CC=C1Cl

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PubChem CID	2724522
CAS	3827-49-4
Molecular Weight (g/mol)	146.55
MDL Number	MFCD00042524
SMILES	OC1=CC(F)=CC=C1Cl
Synonym	2-chloro-5-fluoro-phenol,pubchem2146,2-chloro-5-fluorphenol,acmc-209iz2,ksc226k0t,attercop-chm at137231
IUPAC Name	2-chloro-5-fluorophenol
InChI Key	CMQOZIKIOASEIN-UHFFFAOYSA-N
Molecular Formula	C6H4ClFO

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4-Hydroxy-3,5-diiodobenzonitrile, 97%

CAS: 1689-83-4 Molecular Formula: C7H3I2NO Molecular Weight (g/mol): 370.92 MDL Number: MFCD00016422 InChI Key: NRXQIUSYPAHGNM-UHFFFAOYSA-N Synonym: ioxynil,actril,bentrol,3,5-diiodo-4-hydroxybenzonitrile,cipotril,trevespan,certrol,joxynil,loxynil,iotox PubChem CID: 15530 ChEBI: CHEBI:81821 IUPAC Name: 4-hydroxy-3,5-diiodobenzonitrile SMILES: OC1=C(I)C=C(C=C1I)C#N

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Specifications

PubChem CID	15530
CAS	1689-83-4
Molecular Weight (g/mol)	370.92
ChEBI	CHEBI:81821
MDL Number	MFCD00016422
SMILES	OC1=C(I)C=C(C=C1I)C#N
Synonym	ioxynil,actril,bentrol,3,5-diiodo-4-hydroxybenzonitrile,cipotril,trevespan,certrol,joxynil,loxynil,iotox
IUPAC Name	4-hydroxy-3,5-diiodobenzonitrile
InChI Key	NRXQIUSYPAHGNM-UHFFFAOYSA-N
Molecular Formula	C7H3I2NO

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