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7228-11-7 molecular structure
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2,3-dibromoprop-2-en-1-ol

ChemBase ID: 152432
Molecular Formular: C3H4Br2O
Molecular Mass: 215.87126
Monoisotopic Mass: 213.86288875
SMILES and InChIs

SMILES:
C(/C(=C/Br)/Br)O
Canonical SMILES:
OC/C(=C/Br)/Br
InChI:
InChI=1S/C3H4Br2O/c4-1-3(5)2-6/h1,6H,2H2
InChIKey:
WMKYSVJWQJOFAN-UHFFFAOYSA-N

Cite this record

CBID:152432 http://www.chembase.cn/molecule-152432.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dibromoprop-2-en-1-ol
IUPAC Traditional name
2,3-dibromoprop-2-en-1-ol
Synonyms
2,3-Dibromoallyl alcohol
2,3-Dibromo-2-propen-1-ol
2,3-二溴烯丙醇
2,3-二溴-2-丙烯-1-醇
CAS Number
7228-11-7
EC Number
230-629-8
MDL Number
MFCD00042733
Beilstein Number
1738231
PubChem SID
162246577
24861093
PubChem CID
6393046

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
34298 external link Add to cart Please log in.
Data Source Data ID
PubChem 6393046 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.01995  H Acceptors
H Donor LogD (pH = 5.5) 1.0960493 
LogD (pH = 7.4) 1.0960492  Log P 1.0960493 
Molar Refractivity 32.5778 cm3 Polarizability 12.720384 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
60-62 °C/0.1 mmHg(lit.) expand Show data source
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
Density
2.22 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.581 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 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 2810 6.1/PG 3 expand Show data source
Purity
≥90% (GC) expand Show data source
Grade
technical expand Show data source
Linear Formula
BrCH=C(Br)CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 34298 external link
Packaging
10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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