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10443-65-9 molecular structure
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2-bromoprop-2-enoic acid

ChemBase ID: 147052
Molecular Formular: C3H3BrO2
Molecular Mass: 150.95872
Monoisotopic Mass: 149.93164134
SMILES and InChIs

SMILES:
C=C(C(=O)O)Br
Canonical SMILES:
BrC(=C)C(=O)O
InChI:
InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey:
HMENQNSSJFLQOP-UHFFFAOYSA-N

Cite this record

CBID:147052 http://www.chembase.cn/molecule-147052.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromoprop-2-enoic acid
IUPAC Traditional name
2-bromoprop-2-enoic acid
Synonyms
2-Bromoacrylic acid
2-溴丙烯酸
CAS Number
10443-65-9
EC Number
233-928-1
MDL Number
MFCD00014333
Beilstein Number
1740582
PubChem SID
162241244
24863498
PubChem CID
82633

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 82633 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.5074065  H Acceptors
H Donor LogD (pH = 5.5) -1.7956741 
LogD (pH = 7.4) -2.4244404  Log P 1.0866076 
Molar Refractivity 24.9007 cm3 Polarizability 9.65564 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
62-65 °C(lit.) expand Show data source
65-70°C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 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
II expand Show data source
Risk Statements
34 expand Show data source
34-36/37 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
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-H318-H317 expand Show data source
H314-H335 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
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
Linear Formula
H2C=C(Br)CO2H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 377376 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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