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54738-73-7

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Basic Information
CAS No.: 54738-73-7
Name: 3-BROMO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL
Article Data: 6
Molecular Structure:
Molecular Structure of 54738-73-7 (3-BROMO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL)
Formula: C5H3BrN4O
Molecular Weight: 215.009
Synonyms: 3-Bromo-4-hydroxypyrazolo[3,4-d]pyrimidine;3-Bromoallopurinol;NSC 344532;3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one;
EINECS: 205-525-8
Density: 2.236 g/cm3
Melting Point: 350℃
Boiling Point: 473.096 °C at 760 mmHg
Flash Point: 239.92 °C
PSA: 74.43000
LogP: 0.40870
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  • 3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Casno:

    54738-73-7

    3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

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  • 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-

  • Casno:

    54738-73-7

    4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    YUYONGMEI was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well-equipped synthetic laboratory a

    YUYONGMEI was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’

  • yuyongmei

    China (Mainland)  |  Contact Details

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    Address:sichuan

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Specification

The 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-, with the CAS registry number 54738-73-7, is also known as NSC344532. This chemical's molecular formula is C5H3BrN4O and molecular weight is 213.949023. Its IUPAC name is called 3-bromo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Physical properties of 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-: (1)ACD/LogP: 0.62; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)Index of Refraction: 1.834; (9)Molar Refractivity: 42.374 cm3; (10)Molar Volume: 96.157 cm3; (11)Surface Tension: 120.612 dyne/cm; (12)Density: 2.236 g/cm3; (13)Flash Point: 239.92 °C; (14)Enthalpy of Vaporization: 76.428 kJ/mol; (15)Boiling Point: 473.096 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC(=O)C2=C(NNC2=N1)Br
(2)InChI: InChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
(3)InChIKey: KAHCKNUEZSETEP-UHFFFAOYSA-N