Butanoic acid,4,4,4-trichloro-3-hydroxy- supplier

Name
4,4,4-trichloro-3-hydroxybutanoic acid
EINECS
CAS No. 13159-46-1
Density 1.71 g/cm³
Solubility
Melting Point
Formula C₄H₅Cl₃O₃
Boiling Point 310.4 °C at 760 mmHg
Molecular Weight 207.441
Flash Point 141.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4,4-Trichloro-3-hydroxy-butyric acid;4,4,4-Trichloro-3-hydroxybutanoic acid;
PSA
LogP

Butanoic acid,4,4,4-trichloro-3-hydroxy- Specification

The Butanoic acid,4,4,4-trichloro-3-hydroxy-, with the CAS registry number of 13159-46-1, is also known as 4,4,4-Trichloro-3-hydroxy-butyric acid. The molecular formula of this chemical is C₄H₅Cl₃O₃ and its molecular weight is 207.4397. What's more, its IUPAC name is 4,4,4-Trichloro-3-hydroxybutanoic acid.

Physical properties about Butanoic acid,4,4,4-trichloro-3-hydroxy- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.55; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 38.15 cm³; (13)Molar Volume: 121.2 cm³; (14)Polarizability: 15.12×10^-24 cm³; (15)Surface Tension: 60 dyne/cm; (16)Density: 1.71 g/cm³; (17)Flash Point: 141.5 °C; (18)Enthalpy of Vaporization: 63.92 kJ/mol; (19)Boiling Point: 310.4 °C at 760 mmHg; (20)Vapour Pressure: 5.38E-05 mmHg at 25 °C.

Preparation of Butanoic acid,4,4,4-trichloro-3-hydroxy-: this chemical is prepared by 4-Trichloromethyl-3-trimethylsilanyl-oxetan-2-one. The reaction needs reagent aq. H₂SO₄. The reaction time is 20 minutes with reaction temperature of 90 °C. The yield is about 43 %.

The Butanoic acid,4,4,4-trichloro-3-hydroxy- can be obtained by 4-Trichloromethyl-3-trimethylsilanyl-oxetan-2-one.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)C(O)CC(=O)O
(2) InChI: InChI=1/C4H5Cl3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
(3) InChIKey: PNRIZWCHOZUISE-UHFFFAOYAT

Product Name

4,4,4-trichloro-3-hydroxybutanoic acid

Butanoic acid,4,4,4-trichloro-3-hydroxy- Specification

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