The molecular structure of Phenylalanine,4-chloro- (CAS NO.1991-78-2) is
IUPAC Name: 2-Azaniumyl-3-(4-chlorophenyl)propanoate
Canonical SMILES: C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])Cl
Molecular Formula: C9H10ClNO2
Molecular Weight: 199.65
EINECS: 231-051-9
Density: 1.336g/cm3
Boiling Point: 339.5°C at 760mmHg
Flash Point: 159.1°C
Freely Rotating Bonds: 4
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.589
Molar Refractivity: 50.38 cm3
Molar Volume: 149.3 cm3
Polarizability: 19.97 ×10-24 cm3
Surface Tension: 55.4 dyne/cm
Enthalpy of Vaporization: 61.53 kJ/mol
Vapour Pressure: 3.54E-05 mmHg at 25°C
Solubility: slightly soluble in water
Properties: crystalline
Classification Codes: Enzyme inhibitors ; Neurotransmitter Agents ; Reproductive Effect ; Serotonin Agents ; Serotonin antagonists ; Serotonin inhibitor
The Cas Register Number of Phenylalanine,4-chloro- is 1991-78-2. The chemical synonyms of Phenylalanine,4-chloro- (CAS NO.1991-78-2) are 2-Amino-3-(4-chlorophenyl)propionic acid ; 4-Chloro-dl-phenylalanine ; 4-Chlorophenylalanine ; DL-4-Chlorophenylalanine ; DL-P-Chlorophenylalanine ; H-P-Chloro-DL-PHE-OH .
Phenylalanine,4-chloro- (CAS NO.1991-78-2) is used as pharmaceutical intermediate and a selective and irreversible inhibitor of tryptophan hydroxylase.
An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Hazard Codes:T
Risk Statements: 25-43
R25: Toxic if swallowed.
R43: May cause sensitization by skin contact.
Safety Statements: 36/37-45
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: AY4390010
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