Catalog No.:AA003LZI

87-18-3 | Salicylic acid 4-tert-butylphenyl ester

Name: Name:Salicylic acid 4-tert-butylphenyl ester
Brand: AABLOCKS
SKU: AA003LZI
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25g

>98.0%(GC)

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003LZI

Chemical Name:

Salicylic acid 4-tert-butylphenyl ester

CAS Number:

87-18-3

Molecular Formula:

C17H18O3

Molecular Weight:

270.3230

MDL Number:

MFCD00045759

SMILES:

O=C(c1ccccc1O)Oc1ccc(cc1)C(C)(C)C

NSC Number:

33404

Properties

BP:

373.44°C (rough estimate)

Form:

Solid

MP:

63°C

Refractive Index:

1.5490 (estimate)

Computed Properties

Complexity:

324

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

5.5

Downstream Synthesis Route

98-54-4

69-72-7

87-18-3

[1]Gaylord;Kamath[OrganicSyntheses,1963,vol.Coll.Vol.IV,p.178]

98-54-4

87-18-3

[1]Wang,Shao-Feng;Cao,Xiao-Ping;Li,Yang[AngewandteChemie-InternationalEdition,2017,vol.56,#44,p.13809-13813][Angew.Chem.,2017,vol.129,#44,p.13997-14001,5]

69737-65-1

87-18-3

[1]Wang,Shao-Feng;Cao,Xiao-Ping;Li,Yang[AngewandteChemie-InternationalEdition,2017,vol.56,#44,p.13809-13813][Angew.Chem.,2017,vol.129,#44,p.13997-14001,5]

2-(4-(tert-butyl)phenoxy)benzonitrile

87-18-3

[1]Wang,Shao-Feng;Cao,Xiao-Ping;Li,Yang[AngewandteChemie-InternationalEdition,2017,vol.56,#44,p.13809-13813][Angew.Chem.,2017,vol.129,#44,p.13997-14001,5]

Literature

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

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