Tryptophan, 6-fluoro- supplier

Name
6-FLUORO-DL-TRYPTOPHAN
EINECS 231-788-6
CAS No. 7730-20-3
Article Data3
CAS DataBase
Density 1.442 g/cm³
Solubility
Melting Point 280-285 °C (dec.)(lit.)
Formula C₁₁H₁₁FN₂O₂
Boiling Point 450.7 °C at 760 mmHg
Molecular Weight 222.219
Flash Point 226.4 °C
Transport Information
Appearance almost white to beige powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms DL-Tryptophan, 6-fluoro-;Tryptophan, 6-fluoro-, DL- (8CI);6-Fluoro-DL-tryptophan;DL-6-Fluorotryptophan;DL-6-Fluorotryptophane;NSC 9364;
PSA 79.11000
LogP 1.96170

Tryptophan, 6-fluoro- Specification

The Tryptophan, 6-fluoro-, with the CAS registry number 7730-20-3 and EINECS registry number 231-788-6, has the systematic name of 6-fluorotryptophan. It is a kind of almost white to beige powder, and belongs to the product categories: Indoles and derivatives; A - H; Amino Acids; Modified Amino Acids. And the molecular formula of the chemical is C₁₁H₁₁FN₂O₂. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Tryptophan, 6-fluoro- are as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -1.41; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.47 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 57.76 cm³; (15)Molar Volume: 154 cm³; (16)Polarizability: 22.89×10^-24cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.442 g/cm³; (19)Flash Point: 226.4 °C; (20)Enthalpy of Vaporization: 74.78 kJ/mol; (21)Boiling Point: 450.7 °C at 760 mmHg; (22)Vapour Pressure: 6.54E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)Cc2c1ccc(F)cc1nc2
(2)InChI: InChI=1/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
(3)InChIKey: YMEXGEAJNZRQEH-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 1gm/kg (1000mg/kg)		Biochemical Pharmacology. Vol. 15, Pg. 2134, 1966.

Product Name

6-FLUORO-DL-TRYPTOPHAN

Tryptophan, 6-fluoro- Specification

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