Main page (Russian) Search in database (English)
Sitemap (Russian)

Properties of substance:

theobromine



skc-file

Physical appearance:

white crystals

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

C7H8N4O2

Molar/atomic mass: 180.164

Melting point (°C):

351

Sublimation point (°C):

290

Solubility (g/100 g of solvent):

1,1,2-trichloro-1,2,2-trifluoroethane: very soluble [Ref.]
amyl alcohol: 0.02 (15°C) [Ref.]
aniline: 0.64 (15.5°C) [Ref.]
aniline: 7.84 (184.4°C) [Ref.]
benzene: 0.0057 (15.5°C) [Ref.]
benzene: 0.011 (80.1°C) [Ref.]
water: 0.04358 (20°C) [Ref.]
water: 0.69 (100°C) [Ref.]
diethyl ether: 0.032 (35.6°C) [Ref.]
carbon tetrachloride: 0.013 (15.5°C) [Ref.]
carbon tetrachloride: 0.021 (77°C) [Ref.]
trichloroethylene: 0.008 (15°C) [Ref.]
chloroform: 0.041 (15.5°C) [Ref.]
chloroform: 0.047 (61.3°C) [Ref.]
ethanol: 0.13 (78.4°C) [Ref.]
ethanol 90%: 0.02 (15°C) [Ref.]

    Dissociation:

    pKa (1) = 7.89 (18°C, water)

    LD50 (mg/kg):

    1265 (, )
    837 (white mice, )

    References:

    1. Seidell A. Solubilities of inorganic and organic substances. - 2ed. - New York: D. Van Nostrand Company, 1919. - pp. 721
    2. Seidell A. Solubilities of organic compounds. - 3ed., vol.2. - New York: D. Van Nostrand Company, 1941. - pp. 552
    3. Yalkowsky S.H., Yan H. Handbook of aqueous solubility data. - CRC Press, 2003. - pp. 395
    4. Беликов В.Г. Учебное пособие по фармацевтической химии. - М.: Медицина, 1979. - pp. 398
    5. Орехов А.П. Химия алкалоидов. - М.: ИАН СССР, 1955. - pp. 659
    6. Справочник по растворимости. - Т.1, Кн.2. - М.-Л.: ИАН СССР, 1962. - pp. 1499-1501
    7. Химический энциклопедический словарь. - Под ред. Кнунянц И.Л. - М.: Советсткая энциклопедия, 1983. - pp. 562
      What information do you need?



      © Collected Ruslan Anatolievich Kiper, burewestnik@mail.ru