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15442-91-8 molecular structure
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1,2,4,5-tetrakis(bromomethyl)benzene

ChemBase ID: 150958
Molecular Formular: C10H10Br4
Molecular Mass: 449.8024
Monoisotopic Mass: 445.75159832
SMILES and InChIs

SMILES:
c1c(c(cc(c1CBr)CBr)CBr)CBr
Canonical SMILES:
BrCc1cc(CBr)c(cc1CBr)CBr
InChI:
InChI=1S/C10H10Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,3-6H2
InChIKey:
UTXIKCCNBUIWPT-UHFFFAOYSA-N

Cite this record

CBID:150958 http://www.chembase.cn/molecule-150958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4,5-tetrakis(bromomethyl)benzene
IUPAC Traditional name
1,2,4,5-tetrakis(bromomethyl)benzene
Synonyms
α,α′,α′′,α′′′-Tetrabromodurene
1,2,4,5-Tetrakis(bromomethyl)benzene
1,2,4,5-Tetrakis(broMoMethyl)benzene
四溴甲苯
1,2,4,5-四溴甲基苯
CAS Number
15442-91-8
MDL Number
MFCD00009664
PubChem SID
24854181
162245117
PubChem CID
284971

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 284971 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.064195  LogD (pH = 7.4) 5.064195 
Log P 5.064195  Molar Refractivity 77.4596 cm3
Polarizability 29.257875 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
159-161 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34-36/37 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Linear Formula
C6H2(CH2Br)4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 236616 external link
Packaging
5 g in glass bottle
Application
Employed in the synthesis of thiacyclophanes1,2 and dendrimeric organoplatinum complexes.3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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