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Basic Information
CAS No.: 731-40-8
Name: Thalidomide (+ and -)
Molecular Structure:
Molecular Structure of 731-40-8 (Thalidomide (+ and -))
Formula: C13H10N2O4
Molecular Weight: 0
Synonyms: Thalidomide (+ and -)
EINECS: 200-031-1
Density: 1.503g/cm3
Melting Point: 269-271℃
Boiling Point: 509.7°C at 760 mmHg
Flash Point: 262.1°C
PSA: 83.55000
LogP: 0.35450
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Chemistry

Molecular Structure of (+-)-Thalidomide (CAS NO. 731-40-8):

IUPAC Name: 2-(2,6-Dioxopiperidin-3-yl)isoindole-1,3-dione 
Molecular Formula: C13H10N2O4
Molecular Weight: 258.229500 g/mol
XLogP3: 0.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Canonical SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
InChIKey: UEJJHQNACJXSKW-UHFFFAOYSA-N
Index of Refraction: 1.646
Molar Refractivity: 62.35 cm3
Molar Volume: 171.7 cm3
Surface Tension: 69.9 dyne/cm
Density: 1.503 g/cm3
Flash Point: 262.1 °C
Enthalpy of Vaporization: 78.04 kJ/mol
Boiling Point: 509.7 °C at 760 mmHg
Vapour Pressure of (+-)-Thalidomide (CAS NO. 731-40-8): 1.65E-10 mmHg at 25 °C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   Nature. Vol. 215, Pg. 296, 1967.

Safety Profile

An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Specification

  (+-)-Thalidomide with cas registry number of 731-40-8 has other names such as Thalidomide (+ and -) ; Phthalimide, N-(2,6-dioxo-3-piperidyl)-, (+-)- .