3-Chlorobutanoic acid
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3-Chlorobutanoic acid
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CAS No:
1951-12-8
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Formula:
C4H7ClO2
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Chemical Name:
3-Chlorobutanoic acid
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Synonyms:
Butanoic acid,3-chloro-;Butyric acid,3-chloro-;Butyric acid,β-chloro-;3-Chlorobutanoic acid;3-Chlorobutyric acid;β-Chlorobutyric acid;(±)-3-Chlorobutyric acid;NSC 404459;625-68-3
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CAS No:
Characteristics
37.3
1.08840
1.1865 g/cm3 @ Temp: 19.85 °C
43-44.5 °C @ Solvent: Ligroine
103-105 °C @ Press: 15 Torr
Thermal decomposition to emit toxic chloride fumes
Safety Information
8
3265
34
26-36/37/39
ES8137500
The warehouse is low-temperature, ventilated and dry
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501
H302
|Danger|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:122.55
XLogP3:0.7
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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