3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRICACID
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3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRICACID
structure -
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CAS No:
338-03-4
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Formula:
C5H7F3O3
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Chemical Name:
3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRICACID
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Synonyms:
3-Hydroxy-4,4,4-trifluoroisovalericacid;3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRICACID;3-(TRIFLUOROMETHYL)-3-HYDROXYBUTYRICACID;3-Hydroxy-3-(trifluoromethyl)butyricacid97%;3-Hydroxy-3-(trifluoromethyl)butyricacid97%;4,4,4-TRIFLUORO-3-HYDROXY-3-METHYLBUTYRICACID;3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRICACID;butanoicacid,4,4,4-trifluoro-3-hydroxy-3-methyl-;3-Hydroxy-4,4,4-trifluoroisovalericacid~4,4,4-Trifluoro-3-hydroxy-3-methylbu;3-Hydroxy-4,4,4-trifluoroisovalericacid~4,4,4-Trifluoro-3-hydroxy-3-meth
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CAS No:
Characteristics
57.53000
0.77440
white to pale yellow low melting solid
1.3880
39-41℃
87 °C
87-90°C/0.5mm
1.3880
Safety Information
II
8
3265
R34
S26-S36/37/39-S45
C: Corrosive;
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.
Computed Properties
Molecular Weight:172.10
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:172.03472857
Monoisotopic Mass:172.03472857
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:165
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRICACID
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