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CAS Number: 49617-83-6
1-(bromomethyl)-3-iodobenzene

Structure

 1-(bromomethyl)-3-iodobenzene
Name: 1-(bromomethyl)-3-iodobenzene
Synonyms:
General Information
Product Number: 49617836

CAS Registry Number 49617-83-6
Name:
Benzene, 1-?(bromomethyl)?-?3-?iodo-
Toluene, α-bromo-m-iodo- (7CI)
1-(Bromomethyl)-3-iodobenzene
3-Iodobenzyl bromide
m-Iodobenzylbromide
α-Bromo-m-iodotoluene

 

Chemical Formula: C7H6BrI
Exact Mass: 295.87
Molecular Weight: 296.93
m/z: 295.87 (100.0%), 297.87 (97.3%), 296.87 (7.6%), 298.87 (7.4%)

 

InChI:InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChI Key:BACZSVQZBSCWIG-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)I)CBr

 

Thermal Properties Value Condition Note
Melting Point 50.8 °C   (6)CAS
Melting Point 50-50.5 °C   (7)CAS
Melting Point 49-49.5 °C   (8)CAS
Melting Point 46-47.5 °C   (9)CAS

Specification

98%
References
  1. (6) Baker, John W.; Journal of the Chemical Society 1936, P1448-51 CAPLUS
  2. (7) Olivier, S. C. J.; Recueil des Travaux Chimiques des Pays-Bas 1923, V42, P516-23 CAPLUS
  3. (8) Shoppee, Charles Wm.; Journal of the Chemical Society 1932, P696-711 CAPLUS
  4. (9) Rapp, L. B.; Ukrainskii Khimicheskii Zhurnal (Russian Edition) 1963, V29(7), P734-6 CAPLUS
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