713-68-8,MFCD00003543
Catalog No.:AA003JS9

713-68-8 | 3-Phenoxyphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$40.00   $28.00
- +
1g
97%
in stock  
$51.00   $36.00
- +
5g
97%
in stock  
$166.00   $116.00
- +
10g
97%
in stock  
$227.00   $159.00
- +
25g
97%
in stock  
$439.00   $307.00
- +
100g
97%
in stock  
$1,583.00 $1,108.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003JS9
Chemical Name:
3-Phenoxyphenol
CAS Number:
713-68-8
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD00003543
SMILES:
Oc1cccc(c1)Oc1ccccc1
NSC Number:
57079
Properties
Properties
 
BP:
185 °C12 mm Hg(lit.)  
Form:
Solid  
MP:
41-42 °C(lit.)  
Refractive Index:
n20/D 1.601(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
164  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route
713-68-8    4025-71-2   
2-Phenyl-ethanesulfonicacid3-phenoxy-phenylester 

[1]JournalofgeneralchemistryoftheUSSR,1985,vol.55,p.2354-2358    ZhurnalObshcheiKhimii,1985,vol.55,p.2649-2654

[1]JournalofOrganicChemistry,1960,vol.25,p.1590-1595

713-68-8    61837-46-5   
4-methyl-2-(3-phenoxy-phenoxy)-pentanoicacid 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1502-1505

4175-78-4    713-68-8   
5-bromo-2-(3-phenoxy-phenoxy)-thiazole 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.6078-6081

713-68-8    13519-90-9   
5-3-phenoxyphenoxyisophthalonitrile 

[1]Patent:US2003/181334,2003,A1

Literature

Title: Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.

Journal: Journal of medicinal chemistry 20120726

Title: Calorimetric and computational study of the thermochemistry of phenoxyphenols.

Journal: The Journal of organic chemistry 20110520

Title: Review of pesticide urinary biomarker measurements from selected US EPA children's observational exposure studies.

Journal: International journal of environmental research and public health 20110501

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Estrogenic activities of two synthetic pyrethroids and their metabolites.

Journal: Journal of environmental sciences (China) 20100101

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:713-68-8 Molecular Formula|713-68-8 MDL|713-68-8 SMILES|713-68-8 3-Phenoxyphenol
Catalog No.: AA003JS9
713-68-8,MFCD00003543
713-68-8 | 3-Phenoxyphenol
Pack Size: 250mg
Purity: 98%
in stock
$40.00 $28.00
Pack Size: 1g
Purity: 97%
in stock
$51.00 $36.00
Pack Size: 5g
Purity: 97%
in stock
$166.00 $116.00
Pack Size: 10g
Purity: 97%
in stock
$227.00 $159.00
Pack Size: 25g
Purity: 97%
in stock
$439.00 $307.00
Pack Size: 100g
Purity: 97%
in stock
$1,583.00 $1,108.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003JS9
Chemical Name: 3-Phenoxyphenol
CAS Number: 713-68-8
Molecular Formula: C12H10O2
Molecular Weight: 186.2066
MDL Number: MFCD00003543
SMILES: Oc1cccc(c1)Oc1ccccc1
NSC Number: 57079
Properties
BP: 185 °C12 mm Hg(lit.)  
Form: Solid  
MP: 41-42 °C(lit.)  
Refractive Index: n20/D 1.601(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 164  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
713-68-8    4025-71-2   
2-Phenyl-ethanesulfonicacid3-phenoxy-phenylester 

[1]JournalofgeneralchemistryoftheUSSR,1985,vol.55,p.2354-2358    ZhurnalObshcheiKhimii,1985,vol.55,p.2649-2654

713-68-8    6876-00-2    748-30-1 

[1]JournalofOrganicChemistry,1960,vol.25,p.1590-1595

713-68-8    61837-46-5   
4-methyl-2-(3-phenoxy-phenoxy)-pentanoicacid 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1502-1505

4175-78-4    713-68-8   
5-bromo-2-(3-phenoxy-phenoxy)-thiazole 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.6078-6081

713-68-8    13519-90-9   
5-3-phenoxyphenoxyisophthalonitrile 

[1]Patent:US2003/181334,2003,A1

Literature fold

Title: Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.

Journal: Journal of medicinal chemistry20120726

Title: Calorimetric and computational study of the thermochemistry of phenoxyphenols.

Journal: The Journal of organic chemistry20110520

Title: Review of pesticide urinary biomarker measurements from selected US EPA children's observational exposure studies.

Journal: International journal of environmental research and public health20110501

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Estrogenic activities of two synthetic pyrethroids and their metabolites.

Journal: Journal of environmental sciences (China)20100101

Building Blocks More >
56503-96-9
56503-96-9
2-Amino-4-(1-naphthyl)thiazole
AA003JVI | MFCD00236016
105297-10-7
105297-10-7
4-(4-aminophenyl)thiomorpholine-1,1-dione
AA003JZE | MFCD06797046
332134-60-8
332134-60-8
4-(6-Bromopyridin-2-yl)morpholine
AA003K2T | MFCD07772824
621-90-9
621-90-9
N-Methyl-4-(phenyldiazenyl)aniline
AA003K68 | MFCD00059198
329-15-7
329-15-7
4-(Trifluoromethyl)benzoyl chloride
AA003K8Y | MFCD00000694
22748-16-9
22748-16-9
4,4-Dimethyl-2-cyclopenten-1-one
AA003KCY | MFCD00075081
1206487-35-5
1206487-35-5
4,6-Dibromopyridazin-3-amine
AA003KG7 | MFCD13689240
5731-01-1
5731-01-1
4-Acetyl-4'-bromobiphenyl
AA003KJQ | MFCD00143242
52334-53-9
52334-53-9
4-Amino-3-hydroxypyridine
AA003KMS | MFCD01941262
588-53-4
588-53-4
4-Benzylideneaminophenol
AA003KQ7 | MFCD00020154
Submit
© 2017 AA BLOCKS, INC. All rights reserved.