CAS No.6548-09-0,5-BROMO-DL-TRYPTOPHAN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6548-09-0
Name:	5-BROMO-DL-TRYPTOPHAN
Article Data:	19

Formula:	C₁₁H₁₁BrN₂O₂
Molecular Weight:	283.125
Synonyms:	DL-Tryptophan,5-bromo-;Tryptophan, 5-bromo-, DL- (8CI);2-Amino-3-(5-bromo-1H-indol-3-yl)propionic acid;5-Bromo-DL-tryptophan;DL-5-Bromotryptophan;
EINECS:	229-464-4
Density:	1.704 g/cm³
Melting Point:	264 °C (dec.)(lit.)
Boiling Point:	495.8 °C at 760 mmHg
Flash Point:	253.7 °C
Appearance:	Off-white to light beige fine crystalline powder
Safety:	24/25
Transport Information:	229-464-4
PSA:	79.11000
LogP:	2.58510

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Specification

The CAS register number of 5-Bromotryptophan is 6548-09-0. It also can be called as DL-5-Bromotryptophan and the systematic name about this chemical is 5-bromo-L-tryptophan. The molecular formula about this chemical is C₁₁H₁₁BrN₂O₂ and the molecular weight is 283.12. It belongs to the following product categories which include Indoles and derivatives; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles; IndolesBuilding Blocksand so on.

Physical properties about 5-Bromotryptophan are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): -0.6; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.47 Å²; (12)Index of Refraction: 1.718; (13)Molar Refractivity: 65.45 cm³; (14)Molar Volume: 166 cm³; (15)Polarizability: 25.95x10^-24cm³; (16)Surface Tension: 73.2 dyne/cm; (17)Density: 1.704 g/cm³; (18)Flash Point: 253.7 °C; (19)Enthalpy of Vaporization: 80.41 kJ/mol; (20)Boiling Point: 495.8 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-10 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-bromo-DL-tryptophan ethyl ester hydrochloride. This reaction will need reagent of 1 M aq. NaOH and solvent of methanol. The reaction time is 15 hours with ambient temperature. The yield is about 98%.

Uses of 5-Bromotryptophan: it can be used to produce 5-Deutero-DL-tryptophan. This reaction will need reagent of deuterium, KOH and solvent of methanol. This reaction needs catalytic agent of 10percent Pd/CaCo₃. The reaction time is 2 hours with ambient temperature. The yield is about 49%.

When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc2c1cc(Br)ccc1nc2
(2)InChI: InChI=1/C11H11BrN2O2/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)/t9-/m0/s1
(3)InChIKey: KZDNJQUJBMDHJW-VIFPVBQEBS
(4)Std. InChI: InChI=1S/C11H11BrN2O2/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)/t9-/m0/s1
(5)Std. InChIKey: KZDNJQUJBMDHJW-VIFPVBQESA-N