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Cas Database |
| Name |
3-Trifluoromethyl-DL-phenylalanine |
EINECS | N/A |
| CAS No. | 63701-37-1 | Density | 1.364±0.06 g/cm3(Predicted) |
| PSA | 63.32000 | LogP | 2.36010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H10 F3 N O2 | Boiling Point | 301.2±42.0 °C(Predicted) |
| Molecular Weight | 233.18700 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R36/37/38 | |
| Molecular Structure |
|
Hazard Symbols |
 T, Xi
|
| Synonyms |
DL-Phenylalanine,3-(trifluoromethyl)-; DL-3-(Trifluoromethyl)phenylalanine |
Article Data | 5 |
3-Trifluoromethyl-DL-phenylalanine Chemical Properties
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
3-Trifluoromethyl-DL-phenylalanine Safety Profile
Hazard Codes: 
T,
Xi
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
3-Trifluoromethyl-DL-phenylalanine 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% .
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