3-Chloro-2,4-pentanedione
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3-Chloro-2,4-pentanedione
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CAS No:
1694-29-7
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Formula:
C5H7ClO2
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Chemical Name:
3-Chloro-2,4-pentanedione
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Synonyms:
2,4-Pentanedione,3-chloro-;3-Chloro-2,4-pentanedione;3-Chloroacetylacetone;1-Acetyl-1-chloroacetone;3-Chloro-2,4-dioxopentane;α-Chloroacetylacetone;3-Chloro-2,4-pentadione;3-Chloropentan-2,4-dione
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CAS No:
Characteristics
34.1
0.77180
Clear yellow to very deep brown Liquid
1.129 g/mL at 25 °C(lit.)
41-44.5 °C
152 °C @ Press: 708 Torr
54 °F
n 20/D 1.483(lit.)
7.65g/l
2-8°C
15 hPa (20 °C)
2.1%(V)
Safety Information
II
3.1
UN 1224 3/PG 3
3
36/37/38
26
Xi
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:134.56
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:134.0134572
Monoisotopic Mass:134.0134572
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
