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CAS Number: 84284-70-8
1-(benzyloxy)-4-ethynylbenzene

Structure

1-(benzyloxy)-4-ethynylbenzene
Name: 1-(benzyloxy)-4-ethynylbenzene
Synonyms:
General Information
Product Number: 84284708

CAS Registry Number 84284-70-8
Name:
Benzene, 1-​ethynyl-​4-​(phenylmethoxy)​-
1-(Benzyloxy)-4-ethynylbenzene
4-(Benzyloxy)phenylacetylene
4-Ethynyl-1-phenylmethoxybenzene

 

Chemical Formula: C15H12O
Exact Mass: 208.09
Molecular Weight: 208.26
m/z: 208.09 (100.0%), 209.09 (16.3%), 210.10 (1.3%)

 

InChI:InChI=1S/C15H12O/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h1,3-11H,12H2

InChI Key:XQHAOXRZNLCKJO-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CC=C(C=C1)OCC2=CC=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 260 °C   (1)CAS
Melting Point 71.5-72.3 °C   (3)CAS
Melting Point 66 °C Solv: methanol (67-56-1) (4)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Khabnadideh, Soghra; Bioorganic & Medicinal Chemistry 2005, V13(7), P2637-2649 CAPLUS
  2. (2) Conte, Gilmar; Liquid Crystals 2005, V32(10), P1213-1222 CAPLUS
  3. (3) Xia, Yan; European Journal of Medicinal Chemistry 2011, V46(6), P2386-2396 CAPLUS
  4. (4) Maehr, Hubert; Synthetic Communications 2009, V39(2), P299-310 CAPLUS
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