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CAS Number: 100542-54-9
5,5'-dibromo-2,2'-dimethoxy-1,1'-biphenyl

Structure

5,5'-dibromo-2,2'-dimethoxy-1,1'-biphenyl
Name: 5,5'-dibromo-2,2'-dimethoxy-1,1'-biphenyl
Synonyms:
General Information
Product Number: 100542549

CAS Registry Number 100542-54-9
Name:
1,​1'-​Biphenyl, 5,​5'-​dibromo-​2,​2'-​dimethoxy-
Biphenyl, 5,5'-dibromo-2,2'-dimethoxy- (6CI)
5,5'-Dibromo-2,2'-dimethoxybiphenyl
6,6'-Dimethoxy-3,3'-dibromobiphenyl
NSC 662281

 

Chemical Formula: C14H12Br2O2
Exact Mass: 369.92
Molecular Weight: 372.05
m/z: 371.92 (100.0%), 369.92 (51.3%), 373.92 (48.9%), 372.92 (15.3%), 370.92 (7.8%), 374.92 (7.5%), 373.93 (1.1%)

 

InChI:InChI=1S/C14H12Br2O2/c1-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)18-2/h3-8H,1-2H3

InChI Key:YAJRLSQAVCETBJ-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)Br)C2=C(C=CC(=C2)Br)OC

 

Thermal Properties Value Condition Note
Melting Point 176.1-176.8 °C   (1)CAS
Melting Point 131-132 °C Solv: benzene (71-43-2) (4)CAS
Melting Point 129-130 °C   (6)CAS
Melting Point 127-129 °C Solv: ethanol (64-17-5) (7)CAS
Melting Point 105-107 °C   (8)CAS

Specification

98%

References
  1. (1) Kawase, Takeshi; Comptes Rendus Chimie 2009, V12(3-4), P403-411 CAPLUS
  2. (4) Atamas, L. I.; Journal of Structural Chemistry 2005, V46(Suppl.), PS9-S15 CAPLUS
  3. (6) Gilman, Henry; Journal of the American Chemical Society 1940, V62, P1963-7 CAPLUS
  4. (7) Runeberg, J.; Acta Chemica Scandinavica 1958, V12, P188-92 CAPLUS
  5. (8) Kar, Anirban; Journal of Organometallic Chemistry 2009, V694(4), P524-537 CAPLUS
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