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Ethyl 2-chloroacetoacetate 96%

CAT: 0286-E06460-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-E06460-01Size:100 g
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CAS Number
609-15-4
UN Code
UN2920
Pictogram
02 - Flammable; 05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00009141
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Corrosive Liquid, Flammable, N.O.S.
DOT Classification
Class 8, 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; 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; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Ethyl 2-chloroacetoacetate

inhibits synapse formation between resolvase & two directly repeated res sites; structure given in first source

CAS Number609-15-4
PubChem CID11858
IUPAC Nameethyl 2-chloro-3-oxobutanoate
Molecular FormulaC6H9ClO3
Molecular Weight164.59
XLogP1.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity144
SMILES
CCOC(=O)C(C(=O)C)Cl
InChI
InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
InChIKey
RDULEYWUGKOCMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-chloroacetoacetate
CAS: 609-15-4
CID: 11858
Formula: C6H9ClO3
MW: 164.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.59
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass164.0240218
Monoisotopic Mass164.0240218
Topological Polar Surface Area43.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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505011ETHYL 2‐CHLOROACETOACETATE
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