CAS No.15959-93-0,2-AMINO-4,4,4-TRIFLUORO-N-BUTYRIC ACID HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15959-93-0
Name:	2-AMINO-4,4,4-TRIFLUORO-N-BUTYRIC ACID HYDROCHLORIDE
Article Data:	4

Formula:	C₄H₆F₃NO₂
Molecular Weight:	157.092
Synonyms:	2-Amino-4,4,4-trifluorobutanoic acid;
Density:	1.432 g/cm³
Melting Point:	250°C (dec.)
Boiling Point:	185.2 °C at 760 mmHg
Flash Point:	65.8 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.02000
LogP:	0.44750

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Specification

The Butanoic acid,2-amino-4,4,4-trifluoro- has CAS registry number 15959-93-0. The molecular formula of this chemical is C₄H₆F₃NO₂ and its molecular weight is 157.0911. What's more, its IUPAC name is 2-Amino-4,4,4-trifluorobutanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from light.

Physical properties about Butanoic acid,2-amino-4,4,4-trifluoro- are: (1)ACD/LogP: 1.07; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.391; (12)Molar Refractivity: 26.09 cm³; (13)Molar Volume: 109.6 cm³; (14)Polarizability: 10.34×10^-24 cm³; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 1.432 g/cm³; (17)Flash Point: 65.8 °C; (18)Enthalpy of Vaporization: 46.46 kJ/mol; (19)Boiling Point: 185.2 °C at 760 mmHg; (20)Vapour Pressure: 0.321 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CC(N)C(=O)O
(2) InChI: InChI=1/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)
(3) InChIKey: AQPCXCOPDSEKQT-UHFFFAOYAG