2-Chlorobutyric acid
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2-Chlorobutyric acid
structure -
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CAS No:
4170-24-5
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Formula:
C4H7ClO2
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Chemical Name:
2-Chlorobutyric acid
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Synonyms:
2-CHLORO-N-BUTYRIC ACID;2-CHLOROBUTYRIC ACID;BETA-CHLOROBUTYRIC ACID;DL-ALPHA-CHLOROBUTYRIC ACID;2-chlorbutyricacid;3-CHLORO-N-BUTYRIC ACID;3-CHLOROBUTYRIC ACID;alpha-Chlorobutyric acid
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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.
2-Chlorobutyric acid Basic Attributes
122.55
122.55
1720944
224-029-5
Colorless to Light orange to Yellow
2915.90.1800
Characteristics
37.30000
0.83
pale yellow liquid
1.190 g/mL at 20 °C(lit.)
76.2-77 °C
90-92 °C12 mm Hg(lit.)
76.7±19.8 °C
n20/D1.439
Soluble in water
2.86(at RT℃)
Safety Information
II
8
UN 3265
3
C
26-36/37/39-45
C:Corrosive;
P280-P305 + P351 + P338-P310
34
UN 3265 8/PG 3
|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-Chlorobutyric 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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