(2E)-3-Chloro-2-propenoic acid
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(2E)-3-Chloro-2-propenoic acid
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CAS No:
2345-61-1
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Formula:
C3H3ClO2
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Chemical Name:
(2E)-3-Chloro-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-chloro-,(2E)-;Acrylic acid,3-chloro-,(E)-;2-Propenoic acid,3-chloro-,(E)-;(2E)-3-Chloro-2-propenoic acid;trans-3-Chloroacrylic acid;trans-β-Chloroacrylic acid;(E)-3-Chloroacrylic acid;(E)-β-Chloroacrylic acid;(E)-3-Chloroacrylic acid
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CAS No:
Description
light grey to beige-grey powder or flakes
3-chloroacrylic acid is a chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine. It is a chlorocarboxylic acid and a monocarboxylic acid. It derives from an acrylic acid. It is a conjugate acid of a 3-chloroacrylate.
Characteristics
37.30000
0.82350
1.371g/cm3
85.5-86 °C
88.5 °C @ Press: 17 Torr
70.1ºC
1.4100 (estimate)
Soluble in water.
2-8ºC
0.216mmHg at 25°C
Safety Information
II
UN 3261 8/PG 2
3
R34
S24/25
AS5960000
C:Corrosive;
P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 133 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(2E)-3-Chloro-2-propenoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Computed Properties
Molecular Weight:106.51
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:105.9821570
Monoisotopic Mass:105.9821570
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:76.9
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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