3-Chloro-2,4-pentanedione

ALDRICH/227153 - 97%

Synonym: 3-Chloroacetylacetone

CAS Number: 1694-29-7
Empirical Formula (Hill Notation): C₅H₇ClO₂
Molecular Weight: 134.56
EC Number: 216-902-4
MDL Number: MFCD00009651
Linear Formula: CH₃COCHClCOCH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-227153-100G	100 g	$171.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	49-52 °C/18 mmHg (lit.)
density	1.1921 g/mL at 20 °C (lit.)
InChI	1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChI key	VLRGXXKFHVJQOL-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.483 (lit.)
SMILES string	CC(=O)C(Cl)C(C)=O
storage temp.	2-8°C

Application:	3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.
General description:	The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.
Packaging:	1 kg in glass bottle
Packaging:	100 g in glass bottle

Symbol	GHS02,GHS07
Signal word	Warning
Hazard statements	H226 - H315 - H319 - H335
Precautionary statements	P210 - P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26
RIDADR	UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all
WGK Germany	WGK 3
Flash Point(F)	132.8 °F - closed cup
Flash Point(C)	56 °C - closed cup

Purity	97%
bp	49-52 °C/18 mmHg (lit.)
Density	1.1921 g/mL at 20 °C (lit.)
Refractive Index	n20/D 1.483 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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