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CAS Number: 75460-28-5
18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine

Structure

 18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine
Name: 18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine
Synonyms:
General Information
Product Number: 75460285

CAS Registry Number 75460-28-5
Name:
1,?4,?7,?10,?13,?16-?Benzohexaoxacyclooct?adecin, 18-?bromo-?2,?3,?5,?6,?8,?9,?11,?12,?14,?15-?decahydro-
4-Bromobenzo-18-crown-6

 

Chemical Formula: C16H23BrO6
Exact Mass: 390.07
Molecular Weight: 391.25
m/z: 390.07 (100.0%), 392.07 (99.9%), 391.07 (17.8%), 393.07 (17.3%), 394.07 (2.6%)

 

InChI:InChI=1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2

InChI Key:XHHZIFBFFGIFNI-UHFFFAOYSA-N

Canonical SMILES:C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1

 

Thermal Properties Value Condition Note
Melting Point 80-82 °C   (3)CAS
Melting Point 77-79 °C Solv: heptane (142-82-5) (2)IC

Specification

98%
References
  1. (2) Xu, Hansheng; Huaxue Xuebao 1984, V42(10), P1109-13 CAPLUS
  2. (3) Kotlyar, Sergei A.; Makrogeterotsikly 2008, V1(1), P85-89 CAPLUS
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