CAS No.32133-36-1,DL-3,4-Difluorophenylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32133-36-1
Name:	DL-3,4-Difluorophenylalanine
Article Data:	2

Formula:	C₉H₉F₂NO₂
Molecular Weight:	201.173
Synonyms:	dl-3,4-Difluorophenylalanine;3,4-difluoro-dl-phenylalanine;3,4-Difluoro-DL-phenylalanine;3,4-Difluorophenylalanine;
Density:	1.379 g/cm³
Melting Point:	237 °C
Boiling Point:	311.9 °C at 760 mmHg
Flash Point:	142.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	36
PSA:	63.32000
LogP:	1.61950

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Specification

The DL-3,4-Difluorophenylalanine, with CAS registry number 32133-36-1, belongs to the following product categories: (1)Fluorobenzene; (2)Benzenes. It has the systematic name of 3,4-difluorophenylalanine. And the chemical formula of this chemical is C₉H₉F₂NO₂.

Physical properties of DL-3,4-Difluorophenylalanine: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.48 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 18.03×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Enthalpy of Vaporization: 58.38 kJ/mol; (19)Vapour Pressure: 0.000234 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The DL-3,4-Difluorophenylalanine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)CC(C(=O)O)N
(2)InChI: InChI=1/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(3)InChIKey: PRAWYXDDKCVZTL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(5)Std. InChIKey: PRAWYXDDKCVZTL-UHFFFAOYSA-N