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636-28-2 molecular structure
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1,2,4,5-tetrabromobenzene

ChemBase ID: 89265
Molecular Formular: C6H2Br4
Molecular Mass: 393.69608
Monoisotopic Mass: 389.68899806
SMILES and InChIs

SMILES:
Brc1c(cc(c(c1)Br)Br)Br
Canonical SMILES:
Brc1cc(Br)c(cc1Br)Br
InChI:
InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey:
QCKHVNQHBOGZER-UHFFFAOYSA-N

Cite this record

CBID:89265 http://www.chembase.cn/molecule-89265.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4,5-tetrabromobenzene
IUPAC Traditional name
1,2,4,5-tetrabromobenzene
Synonyms
1,2,4,5-Tetrabromobenzene
1,2,4,5-Tetrabromobenzene
1,2,4,5-四溴苯
CAS Number
636-28-2
EC Number
211-253-3
MDL Number
MFCD00000063
Beilstein Number
1365830
PubChem SID
24856808
162076146
PubChem CID
12486

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.0482564  LogD (pH = 7.4) 5.0482564 
Log P 5.0482564  Molar Refractivity 56.5492 cm3
Polarizability 22.630157 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
175-180°C expand Show data source
180-182 °C(lit.) expand Show data source
180-182°C expand Show data source
Storage Warning
Irritant/Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H413 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
94% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H2Br4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223423 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 278343 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • For use in the generation of dibenzyne, and discussion of its trapping with various dienophiles, see: Org. Synth ., 75, 2001 (1997):
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PATENTS

PATENTS

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INTERNET

INTERNET

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