Home > Compound List > Compound details
927-68-4 molecular structure
click picture or here to close

2-bromoethyl acetate

ChemBase ID: 149416
Molecular Formular: C4H7BrO2
Molecular Mass: 167.00118
Monoisotopic Mass: 165.96294146
SMILES and InChIs

SMILES:
CC(=O)OCCBr
Canonical SMILES:
CC(=O)OCCBr
InChI:
InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey:
RGHQKFQZGLKBCF-UHFFFAOYSA-N

Cite this record

CBID:149416 http://www.chembase.cn/molecule-149416.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromoethyl acetate
IUPAC Traditional name
ethanol, 2-bromo-, acetate
Synonyms
2-Bromoethyl acetate
2-Bromoethyl acetate
2-溴乙基乙酸酯
CAS Number
927-68-4
EC Number
213-159-8
MDL Number
MFCD00000235
Beilstein Number
1743110
PubChem SID
162243581
24848343
24869481
PubChem CID
13564

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13564 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7725335  LogD (pH = 7.4) 0.7725335 
Log P 0.7725335  Molar Refractivity 29.7396 cm3
Polarizability 11.860163 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-14--13.8 °C(lit.) expand Show data source
Boiling Point
159 °C(lit.) expand Show data source
Flash Point
159.8 °F expand Show data source
71 °C expand Show data source
Density
1.514 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.455 expand Show data source
n20/D 1.455(lit.) expand Show data source
RTECS
KJ8227000 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 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
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Impurities
<3% acetic anhydride expand Show data source
Linear Formula
CH3COOCH2CH2Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 137685 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle