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25813-25-6

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Basic Information
CAS No.: 25813-25-6
Name: 3,5-DIBROMO-4-PYRIDINOL
Article Data: 21
Molecular Structure:
Molecular Structure of 25813-25-6 (3,5-DIBROMO-4-PYRIDINOL)
Formula: C5H3Br2NO
Molecular Weight: 252.893
Synonyms: 3,5-Dibromo-4-hydroxypyridine;3,5-Dibromo-4-pyridinol;NSC 203048;
Density: 2.293 g/cm3
Melting Point: 370℃ (dec.)
Boiling Point: 279 °C at 760 mmHg
Flash Point: 122.6 °C
PSA: 33.12000
LogP: 2.31220
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Specification

The 4-Pyridinol, 3,5-dibromo-, with the CAS registry number 25813-25-6, is also known as 3,5-Dibromopyridin-4-ol. This chemical's molecular formula is C5H3Br2NO and molecular weight is 252.89. Its IUPAC name is called 3,5-dibromo-1H-pyridin-4-one.

Physical properties of 4-Pyridinol, 3,5-dibromo-: (1)ACD/LogP: -0.28; (2)ACD/LogD (pH 5.5): -0.29; (3)ACD/LogD (pH 7.4): -0.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.51; (7)ACD/KOC (pH 7.4): 7.62; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.672; (11)Molar Refractivity: 41.3 cm3; (12)Molar Volume: 110.2 cm3; (13)Surface Tension: 60.4 dyne/cm; (14)Density: 2.293 g/cm3; (15)Flash Point: 122.6 °C; (16)Enthalpy of Vaporization: 51.77 kJ/mol; (17)Boiling Point: 279 °C at 760 mmHg; (18)Vapour Pressure: 0.00411 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=O)C(=CN1)Br)Br
(2)InChI: InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
(3)InChIKey: MXBBVOSRBZCCOD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05659,