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(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid - CAS 24435-45-8

Catalog:	BB054631
Product Name:	(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
CAS:	24435-45-8
Synonyms:	(S)-2-Hydroxy-2-(trifluoromethyl)propionic Acid; Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
Molecular Weight:	158.08
Molecular Formula:	C4H5F3O3
Canonical SMILES:	CC(C(=O)O)(C(F)(F)F)O
InChI:	InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m0/s1
InChI Key:	CTGJACFEVDCYMC-VKHMYHEASA-N
Boiling Point:	60-64°C at 20mmHg
Melting Point:	110ºC
Purity:	>98.0%(T)
Density:	1.532±0.06 g/cm3
Storage:	Refrigerator

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Related Functional Groups

Carbonyl Compounds

[1008562-93-3]
(S)-1-Boc-N-methoxy-N-methylpiperidine-3-carboxamide
[55332-38-2]
(S)-2-(4-Chlorophenyl)-3-methylbutanoic Acid
[190724-03-9]
(S)-2-(Boc-amino)-4-[(3-Boc-guanidino)oxy]butanamide
[74411-97-5]
(S)-2-[3-(N-Boc-amino)-2-oxopiperidin-1-yl]acetic Acid
[17094-01-8]
(S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one
[26109-19-3]
(S)-2-Fluorobutanedioic Acid

Fluorinated Building Blocks

[330156-49-5]
(S)-2-Chloro-1-(2,4-difluoro-phenyl)-ethanol
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1006437-26-8]
[(2,3-Difluorophenyl)methyl][(1,5-dimethylpyrazol-4-yl)methyl]amine
[1260659-18-4]
[1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-yl]acetic acid
[1432031-03-2]
[1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-yl]methanamine hydrochloride
[1783389-15-0]
[1-(2,2-Difluoroethyl)-1H-pyrazol-5-yl]acetic acid

Oxygen Compounds

[55332-37-1]
(S)-2-(4-Fluorophenyl)-3-methylbutanoic acid
[1372202-46-4]
(S)-2-(tert-Butoxycarbonyl)isoxazolidine-3-carboxylic Acid
[1977557-93-9]
(S)-3-(3-(((allyloxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid
[874948-63-7]
(S)-3,3'-Bis(2,4,6-triisopropylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate
[929097-92-7]
(S)-3,3'-Bis(triphenylsilyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate
[929916-05-2]
(S)-4-(2-((4-(4-Chlorophenoxy)phenoxy)methyl)pyrrolidin-1-yl)butanoic acid

GHS Hazard Statement:	H290 (33.33%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (33.33%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0190785
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.0190785
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5