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Properties of substance:

phenobarbital

Group of substances:

organic

Physical appearance:

white crystals

Empirical formula (Hill's system for organic substances):

C12H12N2O3

Structural formula as text:

C6H5(C2H5)C(CONH)2CO

Molar/atomic mass: 232.24

Melting point (°C):

174-177

CAS №: 50-06-6

Solubility (g/100 g of solvent):

1-butanol: 6.67 (25°C) [Ref.]
benzene: 0.14 (20°C) [Ref.]
chloroform: 2.5 (20°C) [Ref.]
diethyl ether: 7.7 (20°C) [Ref.]
ethanol: 12.5 (20°C) [Ref.]
water: 0.08546 (15°C) [Ref.]
water: 0.113 (20°C) [Ref.]
water: 0.2096 (40°C) [Ref.]

Dissociation:

pKa (1) = 7.3 (25°C, water)
pKa (2) = 11.8 (25°C, water)

LD50 (mg/kg):

213 (, oral)
218 (mice, intravenous)
118 (, oral)
112 (, oral)
150 (dogs, oral)

References:

  1. Clarke's Analysis of Drugs and Poisons. - 4 ed. - London, 2011. - pp. 1904-1906
  2. Jouyban A. Handbook of solubility data for pharmaceutacals. – CRC Press, 2010. - pp. 73
  3. Kleemann A. Pharmaceutical Substances. - 2000. - pp. 1614-1616
  4. Yalkowsky S.H., Yan H. Handbook of aqueous solubility data. - CRC Press, 2003. - pp. 841-842
  5. Беликов В.Г. Учебное пособие по фармацевтической химии. - М.: Медицина, 1979. - pp. 307 [Russian]
  6. Государственная фармакопея СССР. - 10-е изд. - М.: Медицина, 1968. - pp. 525-526 [Russian]
  7. Максютина Н.П., Каган Ф.Е. и др. Методы идентификации фармацевтических препаратов. - Киев: Здоров'я, 1978. - pp. 131, 133 [Russian]
  8. Полюдек-Фабини Р., Бейрих Т. Органический анализ. - Л.: Химия, 1981. - pp. 223-227, 584 [Russian]
  9. Токсикологический вестник. - 2000. - №1. - pp. 40-41 [Russian]
  10. Халецкий А.М. Фармацевтическая химия. - Л.: Медицина, 1966. - pp. 394-396 [Russian]
  11. Химический энциклопедический словарь. - Под ред. Кнунянц И.Л. - М.: Советская энциклопедия, 1983. - pp. 614 [Russian]

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    © Collected Ruslan Anatolievich Kiper, burewestnik@mail.ru