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CAS Number: 16400-51-4
3,3'-dibromo-1,1'-biphenyl

Structure

3,3'-dibromo-1,1'-biphenyl
Name: 3,3'-dibromo-1,1'-biphenyl
Synonyms:
General Information
Product Number: 16400514
CAS Registry Number:
16400-51-4
Name:
1,​1'-​Biphenyl, 3,​3'-​dibromo-
Biphenyl, 3,​3'-​dibromo- (7CI,​8CI); 3,​3'-​Dibromo-​1,​1'-​biphenyl; 3,​3'-​Dibromobiphenyl; 3,​3'-​Dibromodiphenyl; PBB 11; m,​m'-​Dibromobiphenyl 
 
Chemical Formula: C12H8Br2
Exact Mass: 309.90
Molecular Weight: 312.00
m/z: 311.90 (100.0%), 309.90 (51.4%), 313.90 (49.4%), 312.90 (13.1%), 310.90 (6.7%), 314.90 (6.4%)
Elemental Analysis: C, 46.20; H, 2.58; Br, 51.22
 
InChI: InChI=1S/C12H8Br2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
InChIKey: LPLLWKZDMKTEMV-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC(=C1)Br)C2=CC(=CC=C2)Br
 
Thermal Properties Value Condition Note
Melting Point 171 °C   (4)CAS
Melting Point 171 °C   (5)CAS
Melting Point 145-146 °C   (6)CAS
Melting Point 52.5-53 °C   (7)CAS
Melting Point 52-52.5 °C   (8)CAS
Melting Point 51 °C   (9)CAS

Specification

98%

References
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  3. (3) Mase, Nobuyuki; Heterocycles 2009, V78(12), P3023-3036 CAPLUS
  4. (4) Dobbie, James J.; Proceedings of the Chemical Society, London 1913, V28, P327 CAPLUS
  5. (5) Dobbie, James J.; Journal of the Chemical Society, Transactions 1913, V103, P36-41 CAPLUS
  6. (6) Case, Francis H.; Journal of the American Chemical Society 1939, V61, P3487-90 CAPLUS
  7. (7) Courtot, Ch.; Compt. rend. 1931, V192, P1667-9 CAPLUS
  8. (8) Snyder, H. R.; Journal of the American Chemical Society 1947, V71, P289-91 CAPLUS
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  10. (10) Goldstein, Jacob H.; Journal of Physical Chemistry 1971, V75(3), P421-30 CAPLUS
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