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126-72-7 molecular structure
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tris(2,3-dibromopropyl) phosphate

ChemBase ID: 111518
Molecular Formular: C9H15Br6O4P
Molecular Mass: 697.610761
Monoisotopic Mass: 691.58081759
SMILES and InChIs

SMILES:
BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr
Canonical SMILES:
BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br
InChI:
InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
InChIKey:
PQYJRMFWJJONBO-UHFFFAOYSA-N

Cite this record

CBID:111518 http://www.chembase.cn/molecule-111518.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2,3-dibromopropyl) phosphate
IUPAC Traditional name
tris(2,3-dibromopropyl) phosphate
Synonyms
TRIS-(2,3-DIBROMOPROPYL)PHOSPHATE
TDBPP
Tris(2,3-dibromopropyl) phosphate
TBPP
Fyrol HB 32
Tris
Tris(2,3-dibromopropyl) phosphate
Tris(2,3-dibromopropyl) phosphate
三(2,3-二溴丙基)磷酸酯
三(2,3-二溴丙基)磷酸酯
CAS Number
126-72-7
EC Number
204-799-9
MDL Number
MFCD00039191
PubChem SID
162097245
24861005
PubChem CID
31356
Chemspider ID
29089
Wikipedia Title
Tris(2,3-dibromopropyl)_phosphate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.39299  LogD (pH = 7.4) 5.39299 
Log P 5.39299  Molar Refractivity 101.0702 cm3
Polarizability 41.158424 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Flash Point
110°C (230°F) > expand Show data source
Density
2.24 g/cm3 expand Show data source
2.24 g/ml expand Show data source
RTECS
UB0350000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
3082 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
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
45-22-38-51/53 expand Show data source
Safety Statements
53-26-37-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H350-H400 expand Show data source
GHS Precautionary statements
P201-P273-P308 + P313 expand Show data source
Personal Protective Equipment
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 3082 9/PG 3 expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Empirical Formula (Hill Notation)
C9H15Br6O4P expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05219625 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 34188 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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