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30544-34-4 molecular structure
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2,3-dibromofuran

ChemBase ID: 144531
Molecular Formular: C4H2Br2O
Molecular Mass: 225.86608
Monoisotopic Mass: 223.84723868
SMILES and InChIs

SMILES:
c1coc(c1Br)Br
Canonical SMILES:
Brc1occc1Br
InChI:
InChI=1S/C4H2Br2O/c5-3-1-2-7-4(3)6/h1-2H
InChIKey:
GKPGEBCMRMQOPF-UHFFFAOYSA-N

Cite this record

CBID:144531 http://www.chembase.cn/molecule-144531.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dibromofuran
IUPAC Traditional name
2,3-dibromofuran
Synonyms
2,3-Dibromofuran
2,3-二溴呋喃
CAS Number
30544-34-4
MDL Number
MFCD01074839
Beilstein Number
107511
PubChem SID
162238743
PubChem CID
7021501

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7021501 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.351352  LogD (pH = 7.4) 2.351352 
Log P 2.351352  Molar Refractivity 33.599 cm3
Polarizability 13.493674 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
75-78°C/75mm expand Show data source
Flash Point
140 °F expand Show data source
60 °C expand Show data source
Density
2.000 expand Show data source
2.117 g/mL at 25 °C expand Show data source
Refractive Index
1.5470 expand Show data source
n20/D 1.544 expand Show data source
Storage Warning
Light Sensitive expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
10-25-41 expand Show data source
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-39-45 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
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H301-H318 expand Show data source
H315-H319 expand Show data source
GHS Precautionary statements
P280-P301 + P310-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
97%, stab. with 0.5% calcium carbonate expand Show data source
Empirical Formula (Hill Notation)
C4H2Br2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 736384 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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