4,4,4-Trifluorobutanoic acid
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4,4,4-Trifluorobutanoic acid
structure -
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CAS No:
406-93-9
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Formula:
C4H5F3O2
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Chemical Name:
4,4,4-Trifluorobutanoic acid
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Synonyms:
Butanoic acid,4,4,4-trifluoro-;Butyric acid,4,4,4-trifluoro-;4,4,4-Trifluorobutanoic acid;4,4,4-Trifluorobutyric acid
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CAS No:
Characteristics
37.3
1.2
1.3±0.1 g/cm3
33.2 °C
70 °C @ Press: 12 Torr
44.0±25.9 °C
1.348
Soluble in water.
Safety Information
II
8
3265
3
R34
S26-S36/37/39
C: Corrosive;Xi: Irritant;
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 47 companies from 5 notifications to the ECHA C&L Inventory.
4,4,4-Trifluorobutanoic acid Use and Manufacturing
A mixed solution of 123 g of potassium hydroxide, 900 ml of methanol and 80 ml of water was added to 160 g of ethyl 4, 4, 4-trifluorobutylate with stirring under ice-water cooling and then the reaction mixture was allowed to react for 12 hours at room temperature. (1) a. a. c. c. c. To a stirred solution of
Computed Properties
Molecular Weight:142.08
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:142.02416388
Monoisotopic Mass:142.02416388
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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