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N-(Trifluoroacetyl)glycine

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Name

N-(Trifluoroacetyl)glycine

EINECS N/A
CAS No. 383-70-0 Density 1.534 g/cm3
PSA 66.40000 LogP 0.14040
Solubility N/A Melting Point 120-121 °C
Formula C4H4F3NO3 Boiling Point 291.6 °C at 760 mmHg
Molecular Weight 171.076 Flash Point 130.2 °C
Transport Information N/A Appearance white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 383-70-0 (N-(Trifluoroacetyl)glycine) Hazard Symbols N/A
Synonyms

Glycine,N-(trifluoroacetyl)- (6CI,7CI,8CI,9CI);N-(Trifluoroacetyl)glycine;NSC 306126;Trifluoroacetylglycine;

Article Data 31

N-(Trifluoroacetyl)glycine Specification

This chemical is called N-(Trifluoroacetyl)glycine, and its IUPAC name is 2-[(2,2,2-trifluoroacetyl)amino]acetic acid. With the molecular formula of C4H4F3NO3, its molecular weight is 171.07. The CAS registry number of this chemical is 383-70-0. Additionally, its product categories are Amino Acids; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives.

Other characteristics of the N-(Trifluoroacetyl)glycine can be summarised as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.1; (4)ACD/LogD (pH 7.4): -3.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 26.22 cm3; (15)Molar Volume: 111.5 cm3; (16)Polarizability: 10.39×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.534 g/cm3; (19)Flash Point: 130.2 °C; (20)Enthalpy of Vaporization: 58.42 kJ/mol; (21)Boiling Point: 291.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000479 mmHg at 25°C.

Preparation of this chemical: The N-(Trifluoroacetyl)glycine can be prepared by glycine and trifluoroacetic acid anhydride. The reaction will need solvent tetrahydrofuran. And the yield is about 98 %. 

The N-(Trifluoroacetyl)glycine can be prepared by glycine and trifluoroacetic acid anhydride

Uses of this chemical: The N-(Trifluoroacetyl)glycine could react with prop-2-en-1-ol to obtain the N-Trifluoracetyl-glycin-allylester. This reaction needs the reagent of carbonyldiimidazole, and the solvent of tetrahydrofuran.

The N-(Trifluoroacetyl)glycine could react with prop-2-en-1-ol to obtain the N-Trifluoracetyl-glycin-allylester

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)NCC(=O)O
(2)InChI: InChI=1/C4H4F3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10)
(3)InChIKey: IFAXXCBMQJNCCF-UHFFFAOYAY

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