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1-Chloro-3-pentanone Tech. Grade

CAT: 0286-C16640Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-C16640Size:1 g
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CAS Number
32830-97-0
UN Code
UN1224
Pictogram
02 - Flammable
UDF Signal Word
Warning
MDL Number
MFCD00000993
Hazard Statement
H226 Flammable liquid and vapor; 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
Ketones, Liquid, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

1-Chloro-3-pentanone
CAS Number32830-97-0
PubChem CID96526
IUPAC Name1-chloropentan-3-one
Molecular FormulaC5H9ClO
Molecular Weight120.58
XLogP0.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity61
SMILES
CCC(=O)CCCl
InChI
InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3
InChIKey
APNSUHRNUVUCIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3-pentanone
CAS: 32830-97-0
CID: 96526
Formula: C5H9ClO
MW: 120.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.58
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass120.0341926
Monoisotopic Mass120.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity61.1
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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