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Halofenoler

Organiske forbindelser afledt af phenoler, der indeholder et halogenatom (brom, klor, fluor, jod).

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1

4-Hydroxy-3,5-diiodbenzonitril, 97 %, Thermo Scientific Chemicals

CAS: 1689-83-4 Molekylær formel: C7H3I2NO Molekylvægt (g/mol): 370.92 MDL nummer: MFCD00016422 InChI nøgle: 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 navn: 4-hydroxy-3,5-diiodbenzonitril SMIL: OC1=C(I)C=C(C=C1I)C#N

MDL nummer MFCD00016422
PubChem CID 15530
Molekylvægt (g/mol) 370.92
CAS 1689-83-4
ChEBI CHEBI:81821
Synonym ioxynil,actril,bentrol,3,5-diiodo-4-hydroxybenzonitrile,cipotril,trevespan,certrol,joxynil,loxynil,iotox
SMIL OC1=C(I)C=C(C=C1I)C#N
IUPAC navn 4-hydroxy-3,5-diiodbenzonitril
InChI nøgle NRXQIUSYPAHGNM-UHFFFAOYSA-N
Molekylær formel C7H3I2NO
2

3-Chloro-4-hydroxyacetanilide, 98%

CAS: 3964-54-3 Molekylær formel: C8H8ClNO2 Molekylvægt (g/mol): 185.61 MDL nummer: MFCD01318123 InChI nøgle: 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 navn: N-(3-chlor-4-hydroxyphenyl)acetamid SMIL: CC(=O)NC1=CC=C(O)C(Cl)=C1

MDL nummer MFCD01318123
PubChem CID 77579
Molekylvægt (g/mol) 185.61
CAS 3964-54-3
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
SMIL CC(=O)NC1=CC=C(O)C(Cl)=C1
IUPAC navn N-(3-chlor-4-hydroxyphenyl)acetamid
InChI nøgle JULKJDRBSRRBHT-UHFFFAOYSA-N
Molekylær formel C8H8ClNO2
3

3-Fluoro-5-hydroxybenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1887126-77-3 Molekylær formel: C12H16BFO3 Molekylvægt (g/mol): 238.065 InChI nøgle: KBGOBMOAZQOCTA-UHFFFAOYSA-N Synonym: 5-Fluoro-3-hydroxyphenylboronic acid pinacol ester PubChem CID: 72219551 IUPAC navn: 3-fluor-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMIL: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)O

PubChem CID 72219551
Molekylvægt (g/mol) 238.065
CAS 1887126-77-3
Synonym 5-Fluoro-3-hydroxyphenylboronic acid pinacol ester
SMIL B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)O
IUPAC navn 3-fluor-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI nøgle KBGOBMOAZQOCTA-UHFFFAOYSA-N
Molekylær formel C12H16BFO3
4

3-Bromo-4-hydroxybenzoic acid, 97%

CAS: 14348-41-5 Molekylær formel: C7H5BrO3 Molekylvægt (g/mol): 217.02 MDL nummer: MFCD00017547 InChI nøgle: 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 navn: 3-brom-4-hydroxybenzoesyre SMIL: OC(=O)C1=CC=C(O)C(Br)=C1

MDL nummer MFCD00017547
PubChem CID 84368
Molekylvægt (g/mol) 217.02
CAS 14348-41-5
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
SMIL OC(=O)C1=CC=C(O)C(Br)=C1
IUPAC navn 3-brom-4-hydroxybenzoesyre
InChI nøgle XMEQDAIDOBVHEK-UHFFFAOYSA-N
Molekylær formel C7H5BrO3
5

4-hydroxy-3-iod-5-methoxybenzaldehyd, Thermo Scientific™

CAS: 5438-36-8 Molekylær formel: C8H7IO3 Molekylvægt (g/mol): 278.045 InChI nøgle: FBBCSYADXYILEH-UHFFFAOYSA-N Synonym: 5-iodovanillin,5 iodovanillin,benzaldehyde, 4-hydroxy-3-iodo-5-methoxy,5-iodo vanillin,3-methoxy-4-hydroxy-5-iodobenzaldehyde,5-iodovanilline,5-iodovanilin,5-iodo vaniline,acmc-1ao68 PubChem CID: 79499 IUPAC navn: 4-hydroxy-3-iod-5-methoxybenzaldehyd SMIL: COC1=C(C(=CC(=C1)C=O)I)O

PubChem CID 79499
Molekylvægt (g/mol) 278.045
CAS 5438-36-8
Synonym 5-iodovanillin,5 iodovanillin,benzaldehyde, 4-hydroxy-3-iodo-5-methoxy,5-iodo vanillin,3-methoxy-4-hydroxy-5-iodobenzaldehyde,5-iodovanilline,5-iodovanilin,5-iodo vaniline,acmc-1ao68
SMIL COC1=C(C(=CC(=C1)C=O)I)O
IUPAC navn 4-hydroxy-3-iod-5-methoxybenzaldehyd
InChI nøgle FBBCSYADXYILEH-UHFFFAOYSA-N
Molekylær formel C8H7IO3
6

2-chlor-4-hydroxybenzoesyrehydrat, 98%, Thermo Scientific Chemicals

CAS: 56363-84-9 Molekylær formel: C7H5ClO3 Molekylvægt (g/mol): 172.56 MDL nummer: MFCD00798116 InChI nøgle: WIPYZRZPNMUSER-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzoic acid,2-chloro-4-hyroxybenzoic acid,pubchem4561,acmc-1b14n,ksc497o6l,4-hydroxy-2-chlorobenzoic acid,wipyzrzpnmuser-uhfffaoysa PubChem CID: 91821 IUPAC navn: 2-chlor-4-hydroxybenzoesyre SMIL: OC(=O)C1=CC=C(O)C=C1Cl

MDL nummer MFCD00798116
PubChem CID 91821
Molekylvægt (g/mol) 172.56
CAS 56363-84-9
Synonym benzoic acid, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzoic acid,2-chloro-4-hyroxybenzoic acid,pubchem4561,acmc-1b14n,ksc497o6l,4-hydroxy-2-chlorobenzoic acid,wipyzrzpnmuser-uhfffaoysa
SMIL OC(=O)C1=CC=C(O)C=C1Cl
IUPAC navn 2-chlor-4-hydroxybenzoesyre
InChI nøgle WIPYZRZPNMUSER-UHFFFAOYSA-N
Molekylær formel C7H5ClO3
8

3,3',5,5'-Tetrabromobisphenol A, 97%

CAS: 79-94-7 Molekylær formel: C15H12Br4O2 Molekylvægt (g/mol): 543.875 MDL nummer: MFCD00013962 InChI nøgle: VEORPZCZECFIRK-UHFFFAOYSA-N Synonym: tetrabromobisphenol a,3,3',5,5'-tetrabromobisphenol a,bromdian,4,4'-propane-2,2-diyl bis 2,6-dibromophenol,4,4'-isopropylidenebis 2,6-dibromophenol,firemaster bp 4a,tetrabromodian,2,2-bis 3,5-dibromo-4-hydroxyphenyl propane,fire guard 2000,great lakes ba-59p PubChem CID: 6618 ChEBI: CHEBI:33217 IUPAC navn: 2,6-dibrom-4-[2-(3,5-dibrom-4-hydroxyphenyl)propan-2-yl]phenol SMIL: CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br

MDL nummer MFCD00013962
PubChem CID 6618
Molekylvægt (g/mol) 543.875
CAS 79-94-7
ChEBI CHEBI:33217
Synonym tetrabromobisphenol a,3,3',5,5'-tetrabromobisphenol a,bromdian,4,4'-propane-2,2-diyl bis 2,6-dibromophenol,4,4'-isopropylidenebis 2,6-dibromophenol,firemaster bp 4a,tetrabromodian,2,2-bis 3,5-dibromo-4-hydroxyphenyl propane,fire guard 2000,great lakes ba-59p
SMIL CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
IUPAC navn 2,6-dibrom-4-[2-(3,5-dibrom-4-hydroxyphenyl)propan-2-yl]phenol
InChI nøgle VEORPZCZECFIRK-UHFFFAOYSA-N
Molekylær formel C15H12Br4O2
9

3,5-Difluoro-4-hydroxybenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1029439-83-5 Molekylær formel: C12H15BF2O3 Molekylvægt (g/mol): 256.056 MDL nummer: MFCD16996286 InChI nøgle: KTQYJNVSVKKLGQ-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,3,5-difluoro-4-hydroxybenzeneboronic acid pinacol ester,3,5-difluoro-4-hydroxyphenylboronic acid pinacol ester PubChem CID: 57655406 IUPAC navn: 2,6-difluor-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMIL: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)O)F

MDL nummer MFCD16996286
PubChem CID 57655406
Molekylvægt (g/mol) 256.056
CAS 1029439-83-5
Synonym 2,6-difluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,3,5-difluoro-4-hydroxybenzeneboronic acid pinacol ester,3,5-difluoro-4-hydroxyphenylboronic acid pinacol ester
SMIL B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)O)F
IUPAC navn 2,6-difluor-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI nøgle KTQYJNVSVKKLGQ-UHFFFAOYSA-N
Molekylær formel C12H15BF2O3
10

2,6-Difluoro-4-iodophenol, 99%

CAS: 950858-06-7 Molekylær formel: C6H3F2IO Molekylvægt (g/mol): 255.99 MDL nummer: MFCD09907951 InChI nøgle: LHUADYKKTXZZMQ-UHFFFAOYSA-N PubChem CID: 45790937 IUPAC navn: 2,6-difluor-4-iodphenol SMIL: C1=C(C=C(C(=C1F)O)F)I

MDL nummer MFCD09907951
PubChem CID 45790937
Molekylvægt (g/mol) 255.99
CAS 950858-06-7
SMIL C1=C(C=C(C(=C1F)O)F)I
IUPAC navn 2,6-difluor-4-iodphenol
InChI nøgle LHUADYKKTXZZMQ-UHFFFAOYSA-N
Molekylær formel C6H3F2IO
11

2-Bromo-3,5-difluorophenol, 98%

CAS: 325486-43-9 Molekylær formel: C6H3BrF2O Molekylvægt (g/mol): 208.99 MDL nummer: MFCD01861127 InChI nøgle: AGMQCXYWIMAOMT-UHFFFAOYSA-N Synonym: acmc-20a5l1,phenol,2-bromo-3,5-difluoro,phenol, 2-bromo-3,5-difluoro,2-bromanyl-3,5-bis fluoranyl phenol PubChem CID: 22144860 IUPAC navn: 2-brom-3,5-difluorphenol SMIL: C1=C(C=C(C(=C1F)Br)O)F

MDL nummer MFCD01861127
PubChem CID 22144860
Molekylvægt (g/mol) 208.99
CAS 325486-43-9
Synonym acmc-20a5l1,phenol,2-bromo-3,5-difluoro,phenol, 2-bromo-3,5-difluoro,2-bromanyl-3,5-bis fluoranyl phenol
SMIL C1=C(C=C(C(=C1F)Br)O)F
IUPAC navn 2-brom-3,5-difluorphenol
InChI nøgle AGMQCXYWIMAOMT-UHFFFAOYSA-N
Molekylær formel C6H3BrF2O
12

2-Bromo-6-nitrophenol, 97%

CAS: 13073-25-1 Molekylær formel: C6H4BrNO3 Molekylvægt (g/mol): 218.01 MDL nummer: MFCD02683216 InChI nøgle: VEJSIOPQKQXJAT-UHFFFAOYSA-N Synonym: 2-bromo-6-nitrophenol,phenol, 2-bromo-6-nitro,2-bromo-6-nitro-phenol,6-bromo-2-nitrophenol,6-nitro-2-bromophenol,3-bromo-2-hydroxynitrobenzene,pubchem3114,2-brom-6-nitrophenol,2-nitro-6-bromophenol,acmc-209bjb PubChem CID: 13545453 IUPAC navn: 2-brom-6-nitrophenol SMIL: OC1=C(Br)C=CC=C1[N+]([O-])=O

MDL nummer MFCD02683216
PubChem CID 13545453
Molekylvægt (g/mol) 218.01
CAS 13073-25-1
Synonym 2-bromo-6-nitrophenol,phenol, 2-bromo-6-nitro,2-bromo-6-nitro-phenol,6-bromo-2-nitrophenol,6-nitro-2-bromophenol,3-bromo-2-hydroxynitrobenzene,pubchem3114,2-brom-6-nitrophenol,2-nitro-6-bromophenol,acmc-209bjb
SMIL OC1=C(Br)C=CC=C1[N+]([O-])=O
IUPAC navn 2-brom-6-nitrophenol
InChI nøgle VEJSIOPQKQXJAT-UHFFFAOYSA-N
Molekylær formel C6H4BrNO3
13

2,6-Difluoro-4-hydroxybenzoic acid, 95%

CAS: 214917-68-7 Molekylær formel: C7H4F2O3 Molekylvægt (g/mol): 174.10 MDL nummer: MFCD03094500 InChI nøgle: NFIQGYBXSJQLSR-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol PubChem CID: 2778776 IUPAC navn: 2,6-difluor-4-hydroxybenzoesyre SMIL: OC(=O)C1=C(F)C=C(O)C=C1F

MDL nummer MFCD03094500
PubChem CID 2778776
Molekylvægt (g/mol) 174.10
CAS 214917-68-7
Synonym 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol
SMIL OC(=O)C1=C(F)C=C(O)C=C1F
IUPAC navn 2,6-difluor-4-hydroxybenzoesyre
InChI nøgle NFIQGYBXSJQLSR-UHFFFAOYSA-N
Molekylær formel C7H4F2O3
14

2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde, 98%

CAS: 2973-75-3 Molekylær formel: C8H6Br2O3 Molekylvægt (g/mol): 309.94 MDL nummer: MFCD00016978 InChI nøgle: WKLKGSHBXNPUDU-UHFFFAOYSA-N Synonym: 5,6-dibromovanillin,acmc-1chm2,2,3-dibromo-5-methoxy-4-hydroxybenzaldehyde,2,3-bis bromanyl-5-methoxy-4-oxidanyl-benzaldehyde PubChem CID: 520452 IUPAC navn: 2,3-dibrom-4-hydroxy-5-methoxybenzaldehyd SMIL: COC1=CC(C=O)=C(Br)C(Br)=C1O

MDL nummer MFCD00016978
PubChem CID 520452
Molekylvægt (g/mol) 309.94
CAS 2973-75-3
Synonym 5,6-dibromovanillin,acmc-1chm2,2,3-dibromo-5-methoxy-4-hydroxybenzaldehyde,2,3-bis bromanyl-5-methoxy-4-oxidanyl-benzaldehyde
SMIL COC1=CC(C=O)=C(Br)C(Br)=C1O
IUPAC navn 2,3-dibrom-4-hydroxy-5-methoxybenzaldehyd
InChI nøgle WKLKGSHBXNPUDU-UHFFFAOYSA-N
Molekylær formel C8H6Br2O3
15

2-Bromo-4,5-difluorophenol, 97%

CAS: 166281-37-4 Molekylær formel: C6H3BrF2O Molekylvægt (g/mol): 208.99 MDL nummer: MFCD00070751 InChI nøgle: FCYZOOHWUOEAOX-UHFFFAOYSA-N Synonym: 2-bromo-4,5-diflouo phenol,2-bromo-4,5-difluoro-phenol,phenol, 2-bromo-4,5-difluoro,pubchem2835,acmc-1bxcg,2-bromo-4,5-difluoro,intermediates-zcf02247,2-bromo-4,5-difluorophen,ksc494o4b,2-bromo-4,5-difluorophenol PubChem CID: 2736288 IUPAC navn: 2-brom-4,5-difluorphenol SMIL: OC1=CC(F)=C(F)C=C1Br

MDL nummer MFCD00070751
PubChem CID 2736288
Molekylvægt (g/mol) 208.99
CAS 166281-37-4
Synonym 2-bromo-4,5-diflouo phenol,2-bromo-4,5-difluoro-phenol,phenol, 2-bromo-4,5-difluoro,pubchem2835,acmc-1bxcg,2-bromo-4,5-difluoro,intermediates-zcf02247,2-bromo-4,5-difluorophen,ksc494o4b,2-bromo-4,5-difluorophenol
SMIL OC1=CC(F)=C(F)C=C1Br
IUPAC navn 2-brom-4,5-difluorphenol
InChI nøgle FCYZOOHWUOEAOX-UHFFFAOYSA-N
Molekylær formel C6H3BrF2O