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Ethyl 3-bromopropionate 99%

CAT: 0286-E05830-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-E05830-01Size:25 g
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CAS Number
539-74-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000251
Hazard Statement
H227 Combustible liquid; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

Ethyl 3-bromopropionate
CAS Number539-74-2
PubChem CID68320
IUPAC Nameethyl 3-bromopropanoate
Molecular FormulaC5H9BrO2
Molecular Weight181.03
XLogP1.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CCOC(=O)CCBr
InChI
InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey
FQTIYMRSUOADDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-bromopropionate
CAS: 539-74-2
CID: 68320
Formula: C5H9BrO2
MW: 181.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.03
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass179.97859
Monoisotopic Mass179.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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