AG0027S2

183658-27-7 | BENZOIC ACID, 2,3,4,5-TETRABROMO-, 2-ETHYLHEXYL ESTER

AG0027S2

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CAS Number	183658-27-7
Catalog Number	AG0027S2(AGN-PC-0O57JK)
Chemical Name	BENZOIC ACID, 2,3,4,5-TETRABROMO-, 2-ETHYLHEXYL ESTER
IUPAC Name	2-ethylhexyl 2,3,4,5-tetrabromobenzoate
InChI	InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3
InChI Key	HVDXCGSGEQKWGB-UHFFFAOYSA-N
MDL Number	MFCD26960592
Molecular Formula	C15H18Br4O2
Molecular Weight	549.9182
SMILES	C(=O)(OCC(CCCC)CC)c1c(Br)c(Br)c(c(c1)Br)Br
Synonyms	2-ethylhexyl 2,3,4,5-tetrabromobenzoate, 183658-27-7, 2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate, Benzoic acid, 2,3,4,5-tetrabromo-, 2-ethylhexyl ester, 2,3,4,5-Tetrabromobenzoic Acid 2-Ethylhexyl Ester, 2-Ethylhexyl-2,3,4,5-tetrabromobenzoate, 2-Ethylhexyltetrabromobenzoate, Firemaster 550 component, C15H18Br4O2, SCHEMBL2728830, DTXSID9052686, ASIS-0001, AKOS027323847, FT-0668285, Z1976, J-011768, Benzoic acid, 2,3,4,5-tetrabromo-, 2-ethylhexyl ester (TBB), C576261, Benzoicacid,2,3,4,5-tetrabromo-,2-ethylhexylester, 2-Ethyl-1-hexyl-2,3,4,5-tetrabromobenzoate (TBB), TBB (2-Ethyl-1-hexyl-2,3,4,5-tetrabromobenzoate), TBB,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	549.8g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	549.923g/mol
Monoisotopic Mass	545.804g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	7.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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