Pentabromophenyl acrylate - CAS 52660-82-9

Catalog:	BB027896
Product Name:	Pentabromophenyl acrylate
CAS:	52660-82-9
Synonyms:	(2,3,4,5,6-pentabromophenyl) prop-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	(2,3,4,5,6-pentabromophenyl) prop-2-enoate
Description:	Pentabromophenyl acrylate (CAS# 52660-82-9 ) is a useful research chemical.
Molecular Weight:	542.64
Molecular Formula:	C9H3Br5O2
Canonical SMILES:	C=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI:	InChI=1S/C9H3Br5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2
InChI Key:	BKKVYNMMVYEBGR-UHFFFAOYSA-N
Boiling Point:	469.4 ℃ at 760 mmHg
Density:	2.471 g/cm³
MDL:	MFCD00080604
LogP:	5.59050

Publication Number	Title	Priority Date
CN-112574363-A	Flame-retardant silane modified polyether resin and preparation method and application thereof	20201124
CN-112300098-A	Photopolymer composition, episulfide/epoxy writing monomer and grating	20201029
JP-6876186-B1	Resin composition and foam	20200717
JP-6888158-B1	Resin composition and foam	20200717
JP-6925554-B1	Polyurea foam	20200630

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	541.60089
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	537.60499
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7