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CAS Number: 26040-51-7
bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate

Structure

bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate
Name: bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate
Synonyms:
General Information
Product Number: 26040517

CAS Registry Number 26040-51-7
Name:
1,?2-?Benzenedicarboxylic acid, 3,?4,?5,?6-?tetrabromo-?, 1,?2-?bis(2-?ethylhexyl) ester
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester (9CI)
Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester (8CI)
Bis(2-ethyl-1-hexyl) tetrabromophthalate
Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate
Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate

 

Chemical Formula: C24H34Br4O4
Exact Mass: 701.92
Molecular Weight: 706.14
m/z: 705.91 (100.0%), 703.92 (68.7%), 707.91 (64.9%), 706.92 (26.6%), 704.92 (18.2%), 701.92 (17.6%), 708.92 (17.4%), 709.91 (15.8%), 702.92 (4.6%), 707.92 (4.2%), 710.91 (4.1%), 705.92 (2.8%), 709.92 (2.7%)

 

InChI:InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3

InChI Key:UUEDINPOVKWVAZ-UHFFFAOYSA-N

Canonical SMILES:CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC(CC)CCCC

Specification

98%

References
  1. (1) Stapleton, Heather M.; Environmental Science & Technology 2008, V42(18), P6910-6916 CAPLUS
  2. (2) Hoh, Eunha; Environmental Science & Technology 2009, V43(9), P3240-3247 CAPLUS
  3. (3) Ma, Yuning; Environmental Science & Technology 2012, V46(1), P204-208 CAPLUS
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