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63701-37-1

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Basic Information
CAS No.: 63701-37-1
Name: 3-(TRIFLUOROMETHYL)-DL-PHENYLALANINE
Article Data: 5
Molecular Structure:
Molecular Structure of 63701-37-1 (3-(TRIFLUOROMETHYL)-DL-PHENYLALANINE)
Formula: C10H10 F3 N O2
Molecular Weight: 233.18700
Synonyms: DL-Phenylalanine,3-(trifluoromethyl)-; DL-3-(Trifluoromethyl)phenylalanine
Density: 1.364±0.06 g/cm3(Predicted)
Boiling Point: 301.2±42.0 °C(Predicted)
Hazard Symbols: T,Xi
Risk Codes: R36/37/38
PSA: 63.32000
LogP: 2.36010
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Chemistry


Systematic Name: 3-(Trifluoromethyl)phenylalanine 
SMILES: FC(F)(F)c1cccc(c1)CC(C(=O)O)N  
InChI: InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)  
InChIKey: BURBNIPKSRJAIQ-UHFFFAOYAO 
Molecular Formula: C10H10F3NO2
Molecular Weight: 233.19
H bond acceptors: 3 
H bond donors: 3 
Freely Rotating Bonds: 4  
Index of Refraction: 1.502 
Molar Refractivity: 50.47 cm3 
Molar Volume: 170.9 cm3 
Surface Tension: 39.6 dyne/cm 
Density: 1.364 g/cm3 
Flash Point: 135.9 °C 
Enthalpy of Vaporization: 57.16 kJ/mol 
Boiling Point: 301.2 °C at 760 mmHg 
Vapour Pressure of Phenylalanine,3-(trifluoromethyl)- (CAS NO.63701-37-1): 0.000475 mmHg at 25 °C

Safety Profile

Hazard Codes: ToxicT,IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
Hazard Note: Toxic
HazardClass of Phenylalanine,3-(trifluoromethyl)- (CAS NO.63701-37-1): IRRITANT-HARMFUL

Specification

 Phenylalanine,3-(trifluoromethyl)- (CAS NO.63701-37-1), its Synonyms are 3-Trifluoromethyl-DL-phenylalanine ; 2-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid ; 3-(Trifluoromethyl)-DL-phenylalanine 97% .