| Identification | More | [Name]
3-CHLORO-2,4-PENTANEDIONE | [CAS]
1694-29-7 | [Synonyms]
3-CHLORO-2,4-PENTANEDIONE
3-CHLOROACETYLACETONE
2,4-Pentanedione, 3-chloro-
3-chloro-4-pentanedione
3-chloropentane-2,4-dione
3-Chloropentandione-2,4
3-CHLORO-2 4-PENTANEDIONE WACKER QUALI&
3-CHLOROACETYLACETONE 99+ %
3-Chloroacetylacetone, 3-Cl-ACAC
3-Chloro-2,4-pentadione | [EINECS(EC#)]
216-902-4 | [Molecular Formula]
C5H7ClO2 | [MDL Number]
MFCD00009651 | [Molecular Weight]
134.56 | [MOL File]
1694-29-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow to very deep brown liquid | [Melting point ]
-15 °C
| [Boiling point ]
49-52 °C/18 mmHg (lit.) | [density ]
1.129 g/mL at 25 °C(lit.)
| [vapor pressure ]
15 hPa (20 °C) | [refractive index ]
n20/D 1.483(lit.)
| [Fp ]
54 °F
| [storage temp. ]
2-8°C
| [solubility ]
7.65g/l | [form ]
Liquid | [pka]
6.77±0.46(Predicted) | [color ]
Clear yellow to very deep brown | [Specific Gravity]
1.129 | [PH]
3.9 (7.65g/l, H2O, 20℃) | [explosive limit]
2.1%(V) | [BRN ]
605870 | [CAS DataBase Reference]
1694-29-7(CAS DataBase Reference) | [EPA Substance Registry System]
2,4-Pentanedione, 3-chloro- (1694-29-7) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [F ]
19 | [Autoignition Temperature]
485 °C | [HazardClass ]
3.1 | [PackingGroup ]
II | [HS Code ]
29147000 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow to very deep brown liquid | [Uses]
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. |
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