2-Chlorobutanoic acid
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2-Chlorobutanoic acid
structure -
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CAS No:
4170-24-5
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Formula:
C4H7ClO2
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Chemical Name:
2-Chlorobutanoic acid
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Synonyms:
Butanoic acid,2-chloro-;Butyric acid,2-chloro-;Butyric acid,α-chloro-;2-Chlorobutanoic acid;2-Chlorobutyric acid;α-Chlorobutyric acid;(±)-2-Chlorobutyric acid;(±)-α-Chlorobutanoic acid;(±)-2-Chlorobutanoic acid;(RS)-α-Chlorobutyric acid;(RS)-2-Chlorobutyric acid;α-Monochlorobutanoic acid;2-Chloro-n-butyric acid;600-12-4
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CAS No:
Description
2-Chlorobutanoic acid is an organic compound, colorless to light orange to yellow, with a molecular formula of C₄H₇ClO₂, a molecular weight of 122.55, a melting point of 76.2-77 °C, a boiling point of 90-92 °C12 mm Hg, and a density of 1.190 g/mL.
Characteristics
37.30000
0.83
pale yellow liquid
1.189 g/cm3 @ Temp: 25 °C
76.2-77 °C
109.5 °C @ Press: 24 Torr
76.7±19.8 °C
1.447
Safety Information
II
UN 3265
3
R34
S26-S36/37/39-S45
C:Corrosive;
P280-P305 + P351 + P338-P310
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 44 companies from 3 notifications to the ECHA C&L Inventory.|Not Classified
2-Chlorobutanoic acid Use and Manufacturing
2-Chlorobutyric acid was used in the synthesis of 2-hydroxy-5-hexenyl 2-chlorobutyrate ester.
Computed Properties
Molecular Weight:122.55
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:122.0134572
Monoisotopic Mass:122.0134572
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:72.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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