3-Chloropropionyl chloride
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3-Chloropropionyl chloride
structure -
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CAS No:
625-36-5
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Formula:
C3H4Cl2O
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Chemical Name:
3-Chloropropionyl chloride
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Synonyms:
Propanoyl chloride,3-chloro-;Propionyl chloride,3-chloro-;3-Chloropropanoyl chloride;β-Chloropropanoyl chloride;3-Chloropropionyl chloride;β-Chloropropionyl chloride;β-Chloropropionic acid chloride;ω-Chloropropanoyl chloride;ω-Chloropropionyl chloride;3-Chloropropionic acid chloride;NSC 84180;(Chloromethyl)acetyl chloride;118261-34-0
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CAS No:
3-Chloropropionyl chloride Basic Attributes
126.97
126.97
635814
210-890-4
24PO18998I
84180
DTXSID5060801
29159080
Characteristics
17.1
1.06
red-brown liquid
1.3192 g/cm3 @ Temp: 20 °C
-32 °C
144 °C
146 °F
1.437
Solubility in water: reaction
Flammables area
10.0 hPa
8.8-20.2%(V)
Safety Information
I
6.1
UN 3390 6.1/PG 1
1
14-22-26-34-35-10
23-26-36/37/39-45-38-16-8
UC3934000
T+
P260-P280-P284-P305 + P351 + P338-P310
H302-H314-H330
|Danger|H226 (10.14%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P234, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P404, P405, and P501|Aggregated GHS information provided by 148 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloropropionyl chloride Use and Manufacturing
It is derived from the reaction of propionic acid with sulfuryl chloride and thionyl chloride. Mix 59.2 g of propionic acid, 54.0 g of sulfuryl chloride and 61.6 g of carbon tetrachloride, and then add 0.5 g of benzoyl peroxide. Avoid light and reflux for 1.5h until no more gas escapes. Then add an excess of 190.4 g of thionyl chloride and reflux for 4 hours. Then, the solvent, excess thionyl chloride and propionyl chloride were evaporated under normal pressure. The residue was fractionally distilled under reduced pressure. The 51-54°C (13.3kPa) fraction was collected as 2-chloropropionyl chloride, and the 81-84°C (13.3kPa) fraction was collected as 3-chloropropionyl chloride, which accounted for 45% and 55% respectively. , The total yield is 75%.
Used as an intermediate in organic synthesis
Propanoyl chloride, 3-chloro-: ACTIVE
Computed Properties
Molecular Weight:126.97
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:125.9639201
Monoisotopic Mass:125.9639201
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:52.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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