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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:	110°C
Purity:	>98.0%(T)
Density:	1.532±0.06 g/cm3
Storage:	Refrigerator

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol

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