CAS No.154-07-4,5-CHLORO-DL-TRYPTOPHAN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	154-07-4
Name:	5-CHLORO-DL-TRYPTOPHAN

Formula:	C₁₁H₁₁ClN₂O₂
Molecular Weight:	238.67
Synonyms:	DL-Tryptophan, 5-chloro-;5-Chloro-DL-tryptophan;Tryptophan, 5-chloro-, DL- (8CI);
Density:	1.475 g/cm³
Boiling Point:	476.906 °C at 760 mmHg
Flash Point:	242.224 °C
PSA:	79.11000
LogP:	2.47600

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Specification

The 5-Chlorotryptophan, with the CAS registry number 154-07-4, is also known as 5-Chloro-DL-tryptophan. It belongs to the product category of Indoles and derivatives. This chemical's molecular formula is C₁₁H₁₁ClN₂O₂ and molecular weight is 238.67. What's more, its systematic name is 5-Chlorotryptophan.

Physical properties of 5-Chlorotryptophan are: (1)ACD/LogP: 1.823; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 79.11 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 62.664 cm³; (15)Molar Volume: 161.826 cm³; (16)Polarizability: 24.842×10^-24cm³; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 242.224 °C; (20)Enthalpy of Vaporization: 78.028 kJ/mol; (21)Boiling Point: 476.906 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 5-Chlorotryptophan: it can be used to produce 2-tert-butoxycarbonylamino-3-(5-chloro-1H-indol-3-yl)-propionic acid by heating. It will need solvent dioxane with the reaction time of 24 hours. The yield is about 76%.

5-Chlorotryptophan can be used to produce 2-tert-butoxycarbonylamino-3-(5-chloro-1H-indol-3-yl)-propionic acid by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc2c1cc(Cl)ccc1nc2
(2)Std. InChI: InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
(3)Std. InChIKey: TUKKZLIDCNWKIN-UHFFFAOYSA-N