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1163-19-5 molecular structure
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1,2,3,4,5-pentabromo-6-pentabromophenoxybenzene

ChemBase ID: 73510
Molecular Formular: C12Br10O
Molecular Mass: 959.1678
Monoisotopic Mass: 949.17828462
SMILES and InChIs

SMILES:
O(c1c(c(c(c(c1Br)Br)Br)Br)Br)c1c(c(c(c(c1Br)Br)Br)Br)Br
Canonical SMILES:
Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br
InChI:
InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKey:
WHHGLZMJPXIBIX-UHFFFAOYSA-N

Cite this record

CBID:73510 http://www.chembase.cn/molecule-73510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4,5-pentabromo-6-pentabromophenoxybenzene
IUPAC Traditional name
decabromodiphenyl ether
Synonyms
Pentabromophenyl ether
Decabromodiphenyl ether
Decabromodiphenyl ether solution
Decabromodiphenyl oxide
BDE No 209 solution
DecaBDE
Deca-BDE
BDE-209
Decabromodiphenyl ether
Decabromodiphenyl ether
Bis(pentabromophenyl) ether
6,6'-Oxybis(1,2,3,4,5-pentabromobenzene)
Bis(pentabromophenyl) ether
五溴苯基醚
十溴二苯醚
十溴二苯醚
十溴联苯醚 溶液
BDE No 209 溶液
双(五溴苯基)醚
CAS Number
1163-19-5
EC Number
214-604-9
MDL Number
MFCD00000059
Beilstein Number
2188438
PubChem SID
24851652
24860705
162038429
PubChem CID
14410
CHEMBL
229975
Chemspider ID
13764
KEGG ID
C19383
Wikipedia Title
Decabromodiphenyl_ether

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.161059  LogD (pH = 7.4) 11.161059 
Log P 11.161059  Molar Refractivity 128.5268 cm3
Polarizability 52.07465 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
20-30 μg/litre in water expand Show data source
Apperance
White or pale yellow solid expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
294–296 °C expand Show data source
294-296°C expand Show data source
303-310 °C expand Show data source
304-308°C expand Show data source
Boiling Point
425 °C (decomposition) expand Show data source
Flash Point
10.4 °F expand Show data source
-12 °C expand Show data source
241 °C expand Show data source
Density
3 expand Show data source
3.000 expand Show data source
3.364 g/cm3 solid expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
KN3525000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
UN3152 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
Hazard Class
3 expand Show data source
9 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
20/21/22 expand Show data source
22-40-41-53 expand Show data source
63-11-38-48/20-50/53-65-67 expand Show data source
none expand Show data source
Safety Statements
16-36/37-61-62 expand Show data source
26-36/37/39-61 expand Show data source
36/37 expand Show data source
none expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
Main Hazard
Xn expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H361d-H373-H410 expand Show data source
H301-H318-H351-H413 expand Show data source
H302-H312-H332 expand Show data source
GHS Precautionary statements
P210-P261-P273-P281-P301 + P310-P331 expand Show data source
P280 expand Show data source
P280-P301+P310-P305+P351+P338-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (AT) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
50 μg/mL in isooctane:toluene (9:1) expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
purum expand Show data source
Linear Formula
C6Br5OC6Br5 expand Show data source
Empirical Formula (Hill Notation)
C12Br10O expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR01609 external link
Possible carcinogen
Sigma Aldrich - 194425 external link
Packaging
100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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