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Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate structure

CAS No:
107018-39-3
Formula:
C6H9F3O3
Chemical Name:
Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
Synonyms:
Propanoic acid,3,3,3-trifluoro-2-hydroxy-2-methyl-,ethyl ester;Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2-Hydroxy-2-methyl-3,3,3-trifluoropropionic acid ethyl ester
Categories:
Organic Chemistry > Coordination Complexes

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Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate Basic Attributes

Molecular Weight：

186.12900

Exact Mass：

186.13

DSSTox ID：

DTXSID60446384

HScode：

2918199090

Characteristics

PSA：

46.53000

XLogP3：

0.86280

Density：

1.283g/cm3

Boiling Point：

60 °C @ Press: 760 Torr

Flash Point：

78.3ºC

Refractive Index：

1.379

Vapor Pressure：

0.058mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:186.13
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:186.05037863
Monoisotopic Mass:186.05037863
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:177
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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