2-Chloro-2-propenoic acid
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2-Chloro-2-propenoic acid
structure -
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CAS No:
598-79-8
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Formula:
C3H3ClO2
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Chemical Name:
2-Chloro-2-propenoic acid
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Synonyms:
2-Propenoic acid,2-chloro-;Acrylic acid,2-chloro-;2-Chloro-2-propenoic acid;α-Chloroacrylic acid;2-Chloroacrylic acid;Chloroacrylic acid;2-Chloropropenoic acid;NSC 97174
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CAS No:
Description
ChEBI: A chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine.
2-chloroacrylic acid is a chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine. It has a role as a metabolite. It is a chlorocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from an acrylic acid. It is a conjugate acid of a 2-chloroacrylate.
2-Chloro-2-propenoic acid Basic Attributes
106.50800
106.51
209-953-9
97174
DTXSID5060514
2916190090
Characteristics
37.30000
0.82350
white crystallized powder
1.348 g/cm3
64-65 °C
178-179 °C @ Press: 722 Torr
73.1ºC
1.4405 (20ºC)
Soluble in water.
Safety Information
II
8
3261
R34
S26-S36/37/39
AS5952000
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory.
2-Chloro-2-propenoic acid Use and Manufacturing
2-Propenoic acid, 2-chloro-: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Computed Properties
Molecular Weight:106.51
XLogP3:1.2
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:86.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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