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Diphenylethers

Organic compounds that consist of two phenyl rings bonded to the same oxygen atom; these compounds are considered diaryl ethers.

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1

PBDE 15, TRC

CAS: 2050-47-7 Molecular Formula: C12 H8 Br2 O Molecular Weight (g/mol): 328 Synonym: Benzene, 1,1'-oxybis[4-bromo-,Ether, bis(p-bromophenyl) (6CI,7CI,8CI),1,1'-Oxybis[4-bromobenzene],4,4'-Dibromodiphenyl ether,BDE 15,Bis(4-bromophenyl) ether,Bis(bromophenyl) ether,Bis(p-bromophenyl) ether,Di(4-bromophenyl) ether,NSC 1787,NSC 9487,PBDE 15,p,p'-Dibromodiphenyl ether IUPAC Name: 1-bromo-4-(4-bromophenoxy)benzene SMILES: Brc1ccc(Oc2ccc(Br)cc2)cc1

CAS 2050-47-7
Molecular Weight (g/mol) 328
SMILES Brc1ccc(Oc2ccc(Br)cc2)cc1
Synonym Benzene, 1,1'-oxybis[4-bromo-,Ether, bis(p-bromophenyl) (6CI,7CI,8CI),1,1'-Oxybis[4-bromobenzene],4,4'-Dibromodiphenyl ether,BDE 15,Bis(4-bromophenyl) ether,Bis(bromophenyl) ether,Bis(p-bromophenyl) ether,Di(4-bromophenyl) ether,NSC 1787,NSC 9487,PBDE 15,p,p'-Dibromodiphenyl ether
IUPAC Name 1-bromo-4-(4-bromophenoxy)benzene
Molecular Formula C12 H8 Br2 O
2

4,4'-Dichlorodiphenyl Ether, TRC

CAS: 2444-89-5 Molecular Formula: C12H8Cl2O Molecular Weight (g/mol): 239.1 Synonym: 1,1'-Oxybis[4-chlorobenzene],Bis(4-chlorophenyl) Ether,Bis(p-chlorophenyl) Ether,CDE-15,NSC 38001,PCDE 15,p,p'-Dichlorodiphenyl Oxide SMILES: Clc1ccc(Oc2ccc(Cl)cc2)cc1

CAS 2444-89-5
Molecular Weight (g/mol) 239.1
SMILES Clc1ccc(Oc2ccc(Cl)cc2)cc1
Synonym 1,1'-Oxybis[4-chlorobenzene],Bis(4-chlorophenyl) Ether,Bis(p-chlorophenyl) Ether,CDE-15,NSC 38001,PCDE 15,p,p'-Dichlorodiphenyl Oxide
Molecular Formula C12H8Cl2O
3

Diofenolan, TRC

CAS: 63837-33-2 Molecular Formula: C18 H20 O4 Molecular Weight (g/mol): 300.35 Synonym: 1,3-Dioxolane, 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-,2-Ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane,Aware,Diofenolan IUPAC Name: 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane SMILES: CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1

CAS 63837-33-2
Molecular Weight (g/mol) 300.35
SMILES CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1
Synonym 1,3-Dioxolane, 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-,2-Ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane,Aware,Diofenolan
IUPAC Name 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
Molecular Formula C18 H20 O4
4

(R)-Diclofop-methyl, TRC

CAS: 71283-65-3 Molecular Formula: C16 H14 Cl2 O4 Molecular Weight (g/mol): 341.186 Synonym: Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (R)-,(+)-Diclofop-methyl,(R)-(+)-Diclofop-methyl,(R)-Dichlofop-methyl,(R)-Diclofop-methyl,Diclofop-P-methyl IUPAC Name: methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate SMILES: COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1

CAS 71283-65-3
Molecular Weight (g/mol) 341.186
SMILES COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
Synonym Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (R)-,(+)-Diclofop-methyl,(R)-(+)-Diclofop-methyl,(R)-Dichlofop-methyl,(R)-Diclofop-methyl,Diclofop-P-methyl
IUPAC Name methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Molecular Formula C16 H14 Cl2 O4
5

2,2',4,4',5,6'-Hexabromodiphenyl Ether, TRC

CAS: 207122-15-4 Molecular Formula: C12 H4 Br6 O Molecular Weight (g/mol): 643.58 Synonym: Benzene, 1,3,5-tribromo-2-(2,4,5-tribromophenoxy)-,1,3,5-Tribromo-2-(2,4,5-tribromophenoxy)benzene,2,2',4,4',5,6'-Hexabromodiphenyl ether,BDE 154,PBDE 154,PBDE No. 154 IUPAC Name: 1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene SMILES: Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1

CAS 207122-15-4
Molecular Weight (g/mol) 643.58
SMILES Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
Synonym Benzene, 1,3,5-tribromo-2-(2,4,5-tribromophenoxy)-,1,3,5-Tribromo-2-(2,4,5-tribromophenoxy)benzene,2,2',4,4',5,6'-Hexabromodiphenyl ether,BDE 154,PBDE 154,PBDE No. 154
IUPAC Name 1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene
Molecular Formula C12 H4 Br6 O
6

3-Phenoxybenzoyl chloride, ≥97%, Thermo Scientific™

CAS: 3586-15-0 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 MDL Number: MFCD03424712 InChI Key: TTZXIWBOKOZOPL-UHFFFAOYSA-N Synonym: benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy PubChem CID: 2760341 IUPAC Name: 3-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl

PubChem CID 2760341
CAS 3586-15-0
Molecular Weight (g/mol) 232.663
MDL Number MFCD03424712
SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl
Synonym benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy
IUPAC Name 3-phenoxybenzoyl chloride
InChI Key TTZXIWBOKOZOPL-UHFFFAOYSA-N
Molecular Formula C13H9ClO2
7

Piretanide, TRC

CAS: 55837-27-9 Molecular Formula: C17 H18 N2 O5 S Molecular Weight (g/mol): 362.4 Synonym: Piretanide,4-Phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid SMILES: NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O

CAS 55837-27-9
Molecular Weight (g/mol) 362.4
SMILES NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O
Synonym Piretanide,4-Phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid
IUPAC Name 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
Molecular Formula C17 H18 N2 O5 S
8

Cyhalofop, TRC

CAS: 122008-78-0 Molecular Formula: C16 H12 F N O4 Molecular Weight (g/mol): 301.27 Synonym: Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, (R)-,(2R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propanoic acid,(R)-(+)-2-[4-(2-Fluoro-4-cyanophenoxy)phenoxy]propanoic acid,Cyhalofop,Cyhalofop acid IUPAC Name: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid SMILES: C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(=O)O

CAS 122008-78-0
Molecular Weight (g/mol) 301.27
SMILES C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(=O)O
Synonym Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, (R)-,(2R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propanoic acid,(R)-(+)-2-[4-(2-Fluoro-4-cyanophenoxy)phenoxy]propanoic acid,Cyhalofop,Cyhalofop acid
IUPAC Name (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
Molecular Formula C16 H12 F N O4
9

rac Toltrazuril Sulfoxide, TRC

CAS: 69004-15-5 Molecular Formula: C18 H14 F3 N3 O5 S Molecular Weight (g/mol): 441.38 Synonym: 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfinyl]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione,Toltrazuril sulfoxide IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfinyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione SMILES: CN1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(cc3)S(=O)C(F)(F)F)c(C)c2

CAS 69004-15-5
Molecular Weight (g/mol) 441.38
SMILES CN1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(cc3)S(=O)C(F)(F)F)c(C)c2
Synonym 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfinyl]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione,Toltrazuril sulfoxide
IUPAC Name 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfinyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
Molecular Formula C18 H14 F3 N3 O5 S
10

(Z)-Metominostrobin, TRC

CAS: 133408-51-2 Molecular Formula: C16 H16 N2 O3 Molecular Weight (g/mol): 284.31 Synonym: Benzeneacetamide, α-(methoxyimino)-N-methyl-2-phenoxy-, (αZ)- (9CI, ACI),(αZ)-α-(Methoxyimino)-N-methyl-2-phenoxybenzeneacetamide (ACI),Benzeneacetamide, α-(methoxyimino)-N-methyl-2-phenoxy-, (Z)- (ZCI),(Z)-2-(Methoxyimino)-N-methyl-2-(2-phenoxyphenyl)acetamide,(Z)-Metominostrobin,(Z)-N-Methyl-2-(2-phenoxyphenyl)-2-(methoxyimino)acetamide IUPAC Name: (2Z)-2-methoxyimino-N-methyl-2-(2-phenoxyphenyl)acetamide SMILES: CNC(=O)\C(=N/OC)\c1ccccc1Oc2ccccc2

CAS 133408-51-2
Molecular Weight (g/mol) 284.31
SMILES CNC(=O)\C(=N/OC)\c1ccccc1Oc2ccccc2
Synonym Benzeneacetamide, α-(methoxyimino)-N-methyl-2-phenoxy-, (αZ)- (9CI, ACI),(αZ)-α-(Methoxyimino)-N-methyl-2-phenoxybenzeneacetamide (ACI),Benzeneacetamide, α-(methoxyimino)-N-methyl-2-phenoxy-, (Z)- (ZCI),(Z)-2-(Methoxyimino)-N-methyl-2-(2-phenoxyphenyl)acetamide,(Z)-Metominostrobin,(Z)-N-Methyl-2-(2-phenoxyphenyl)-2-(methoxyimino)acetamide
IUPAC Name (2Z)-2-methoxyimino-N-methyl-2-(2-phenoxyphenyl)acetamide
Molecular Formula C16 H16 N2 O3
11

Difenoconazole, TRC

CAS: 119446-68-3 Molecular Formula: C19 H17 Cl2 N3 O3 Molecular Weight (g/mol): 406.26 Synonym: 1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]- (9CI, ACI),1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole (ACI),BaiJunTong,Bardos Neu,CGA 169374,Difenconazole,Difenoconazole,Dividend,Dividend (fungicide),Dragon,Plover,Score,Score 10WG,Score EC 250,Sico IUPAC Name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole SMILES: CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl

CAS 119446-68-3
Molecular Weight (g/mol) 406.26
SMILES CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
Synonym 1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]- (9CI, ACI),1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole (ACI),BaiJunTong,Bardos Neu,CGA 169374,Difenconazole,Difenoconazole,Dividend,Dividend (fungicide),Dragon,Plover,Score,Score 10WG,Score EC 250,Sico
IUPAC Name 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Molecular Formula C19 H17 Cl2 N3 O3
12

1-(4-Phenoxyphenoxy)-2-propanol, TRC

CAS: 57650-78-9 Molecular Formula: C15 H16 O3 Molecular Weight (g/mol): 244.29 Synonym: POPA IUPAC Name: 1-(4-phenoxyphenoxy)propan-2-ol SMILES: CC(O)COc1ccc(Oc2ccccc2)cc1

CAS 57650-78-9
Molecular Weight (g/mol) 244.29
SMILES CC(O)COc1ccc(Oc2ccccc2)cc1
Synonym POPA
IUPAC Name 1-(4-phenoxyphenoxy)propan-2-ol
Molecular Formula C15 H16 O3
13

3,3’,5-Triiodo Thyropropionic Acid, TRC

CAS: 51-26-3 Molecular Formula: C15 H11 I3 O4 Molecular Weight (g/mol): 635.96 IUPAC Name: 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid SMILES: OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1

CAS 51-26-3
Molecular Weight (g/mol) 635.96
SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
IUPAC Name 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular Formula C15 H11 I3 O4
14

(R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, TRC

CAS: 1022150-12-4 Molecular Formula: C22 H22 N6 O Molecular Weight (g/mol): 386.45 Synonym: 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3R)-3-piperidinyl- (ACI),3-(4-Phenoxyphenyl)-1-[(3R)-1-(phenylmethyl)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (ACI),3-(4-Phenoxyphenyl)-1-(3R)-3-piperidinyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: 3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine SMILES: Nc1ncnc2c1c(nn2[C@@H]3CCCNC3)c4ccc(Oc5ccccc5)cc4

CAS 1022150-12-4
Molecular Weight (g/mol) 386.45
SMILES Nc1ncnc2c1c(nn2[C@@H]3CCCNC3)c4ccc(Oc5ccccc5)cc4
Synonym 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3R)-3-piperidinyl- (ACI),3-(4-Phenoxyphenyl)-1-[(3R)-1-(phenylmethyl)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (ACI),3-(4-Phenoxyphenyl)-1-(3R)-3-piperidinyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name 3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula C22 H22 N6 O
15

N-Methyl-2-[2-(methylamino)phenoxy]aniline, TRC

CAS: 76967-82-3 Molecular Formula: C14H16N2O Molecular Weight (g/mol): 228.3 Synonym: 2,2'-Oxybis[N-methylbenzenamine],2,2'-Oxybis(N-methylaniline) IUPAC Name: N-methyl-2-[2-(methylamino)phenoxy]aniline SMILES: CNc1ccccc1Oc2ccccc2NC

CAS 76967-82-3
Molecular Weight (g/mol) 228.3
SMILES CNc1ccccc1Oc2ccccc2NC
Synonym 2,2'-Oxybis[N-methylbenzenamine],2,2'-Oxybis(N-methylaniline)
IUPAC Name N-methyl-2-[2-(methylamino)phenoxy]aniline
Molecular Formula C14H16N2O