DIGITOXIGENIN manufacturers and suppliers

DIGITOXIGENIN suppliers

Properties

Melting point:: 253-255 °C (dec.)(lit.)

alpha: D17 +19.1° (c = 1.36 in methanol)

Boiling point:: 423.5°C (rough estimate)

Density: 1.0284 (rough estimate)

refractive index: 1.4433 (estimate)

storage temp.: Store at -20°C

solubility: DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 5 mg/ml

form: powder to crystal

pka: 14.93±0.70(Predicted)

color: White to Almost white

optical activity: +2323 (c 0.5, CHCl3)

Water Solubility: 11.24mg/L(30 ºC)

Merck: 14,3162

BRN: 95448

Stability:: Hygroscopic

InChIKey: XZTUSOXSLKTKJQ-CESUGQOBSA-N

SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2

LogP: 2.640

CAS DataBase Reference: 143-62-4(CAS DataBase Reference)

Safety Information

Symbol(GHS): GHS06

Signal word: Danger

Hazard statements: H300

Precautionary statements: P264-P270-P301+P310-P405-P501

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Hazard Codes: T

Risk Statements: 25

Safety Statements: 45

RIDADR: UN 3462 6.1/PG 2

WGK Germany: 3

RTECS: FH4975000

HS Code: 2938.90.0000

HazardClass: 6.1(a)

PackingGroup: II

Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials

Hazard Classifications: Acute Tox. 2 Oral

Toxicity: cat,LDLo,intravenous,254ug/kg (0.254mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITING,Journal of the American Pharmaceutical Association. Vol. 27, Pg. 189, 1938.

Use

Dissolve digitoxigenin in EtOAc, wash it with H2O, dry it (Na2SO4), evaporate and recrystallise it from 40% aqueous EtOH or aqueous MeOH then EtOAc/Et2O. The UV has max at 218nm ( 14,500 M-1cm-1). The 3-acetate crystallises from Me2CO/Et2O with m 222-227o, [] D 20 +21o (c 1, CHCl3). [Wyss et al. Helv Chim Acta 43 644 1960, Cruz et al. J Org Chem 4 2 3580 1977, Beilstein 18 IV 1468.]

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