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TETRABROMOTEREPHTHALIC ACID

TETRABROMOTEREPHTHALIC ACID

Name: TETRABROMOTEREPHTHALIC ACID
Brand: BOC Sciences
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Molecular Formula:

C8H2Br4O4

Molecular Weight:

481.72

CAS Number:

5411-70-1

Catalog Number:

5411-70-1

Product Information

Molecular Formula:

C8H2Br4O4

Molecular Weight:

481.72

Description

Monomer for synthesis of flame retardant polyesters

Synonyms

TETRABROMOTEREPHTHALIC ACID; 2,3,5,6-Tetrabromoterephthalic acid

IUPAC Name

2,3,5,6-tetrabromoterephthalic acid

Canonical SMILES

C1(=C(C(=C(C(=C1Br)Br)C(=O)O)Br)Br)C(=O)O

InChI

InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)

InChI Key

PNXPXUDJXYVOFM-UHFFFAOYSA-N

Melting Point

~350 °C (dec.) (lit.)

Flash Point

Not applicable

Safety Information

Hazards

H315 - H319

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

3.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

481.66456 g/mol

Monoisotopic Mass

477.66866 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

264

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-111876057-A	Halogen-free flame-retardant powder polyester coating and preparation method thereof	2020-07-20
WO-2021111976-A1	Method for producing polymer	2019-12-04
WO-2021111977-A1	Composition for forming resist underlayer film	2019-12-04
TW-202134311-A	Polymer manufacturing method	2019-12-04
TW-202136919-A	Composition for forming resist underlayer film	2019-12-04
WO-2020130954-A1	Metal-organic framework adsorbent	2018-12-21
WO-2020130955-A1	Metal-organic framework adsorbent	2018-12-21
JP-2019112554-A	Polytetrafluoroethylene-containing toughening agent and thermoplastic resin composition	2017-12-25
JP-2019113614-A	Photosensitive coloring composition for color filter, and color filter	2017-12-21
JP-2018099887-A	Screen version	2016-12-21

Literatures

PMID	Publication Date	Title	Journal
22544442	2012-06-18	Thermal cleavage of cyclobutane rings in photodimerized coordination-polymeric sheets	Chemistry (Weinheim an der Bergstrasse, Germany)
22064366	2011-10-01	4,4'-Bipyridine-1,1'-diium 2,3,5,6-tetra-bromo-terephthalate dihydrate	Acta crystallographica. Section E, Structure reports online