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96105-72-5

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Basic Information
CAS No.: 96105-72-5
Name: 3,3,3-TRIFLUOROALANINE HYDROCHLORIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 96105-72-5 (3,3,3-TRIFLUOROALANINE HYDROCHLORIDE)
Formula: C3H4F3NO2.HCl
Molecular Weight: 179.526
Synonyms: 3,3,3-Trifluoroalaninehydrochloride;
Melting Point: 225-235°C
Boiling Point: 254.9 °C at 760 mmHg
Flash Point: 108 °C
Hazard Symbols: CorrosiveC
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 63.32000
LogP: 1.46290
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Chemistry

Molecular Structure of 2-Amino-3,3,3-trifluoropropionic acid hydrochloride (CAS No.96105-72-5):
 
Molecular Formula: C3H5ClF3NO2
Molecular Weight: 179.5255
CAS No: 96105-72-5
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 63.32 Å2
Flash Point: 108 °C
Enthalpy of Vaporization: 54.21 kJ/mol
Boiling Point: 254.9 °C at 760 mmHg
Vapour Pressure: 0.00518 mmHg at 25°C
InChI: InChI=1/C3H4F3NO2.ClH/c4-3(5,6)1(7)2(8)9;/h1H,7H2,(H,8,9);1H
InChIKey: MRYBJJRPTNOPQK-UHFFFAOYAK
Std. InChI: InChI=1S/C3H4F3NO2.ClH/c4-3(5,6)1(7)2(8)9;/h1H,7H2,(H,8,9);1H
Std. InChIKey: MRYBJJRPTNOPQK-UHFFFAOYSA-N
Systematic Name: 2-Amino-3,3,3-trifluoro-propanoic acid hydrochloride 

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

   2-Amino-3,3,3-trifluoropropionic acid hydrochloride (CAS No.96105-72-5), its synonyms are 3,3,3-Trifluoroalanine hydrochloride (1:1) ; Alanine, 3,3,3-trifluoro-, hydrochloride (1:1) ; 3,3,3-Trifluoroalanine hydrochloride .