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1,3-Dichloro-2-propanone

CAT: 0286-D16840-01Size: 50 gDry Ice: NoHazardous: Yes
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CAT#:0286-D16840-01Size:50 g
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CAS Number
534-07-6
Synonyms
1,3-Dichloroacetone
UN Code
UN2649
Pictogram
05 - Corrosive; 06 - Acute Toxicity; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00000937
Hazard Statement
H300 Fatal if swallowed; H310 Fatal in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H330 Fatal if inhaled; H335 May cause respiratory irritation; H341 Suspected of causing genetic defects.
DOT Name
1,3-Dichloroacetone
DOT Classification
Class 6.1
Packaging Group
PGII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P284 Wear respiratory protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P350 IF ON SKIN: Gently 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.

Chemical Information

1,3-Dichloroacetone

1,3-dichloroacetone is a ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis. It is a ketone and an organochlorine compound. It is functionally related to a 1,3-dichloropropan-2-ol.

CAS Number534-07-6
PubChem CID10793
IUPAC Name1,3-dichloropropan-2-one
Molecular FormulaC3H4Cl2O
Molecular Weight126.97
XLogP1.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity46
SMILES
C(C(=O)CCl)Cl
InChI
InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKey
SUNMBRGCANLOEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichloroacetone
CAS: 534-07-6
CID: 10793
Formula: C3H4Cl2O
MW: 126.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.97
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass125.9639201
Monoisotopic Mass125.9639201
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity46.8
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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