4-Pyridinol, 3,5-dibromo- supplier

Name
3,5-DIBROMO-4-PYRIDINOL
EINECS
CAS No. 25813-25-6
Article Data21
CAS DataBase
Density 2.293 g/cm³
Solubility
Melting Point 370℃ (dec.)
Formula C₅H₃Br₂NO
Boiling Point 279 °C at 760 mmHg
Molecular Weight 252.893
Flash Point 122.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Dibromo-4-hydroxypyridine;3,5-Dibromo-4-pyridinol;NSC 203048;
PSA 33.12000
LogP 2.31220

4-Pyridinol, 3,5-dibromo- 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,

Product Name

3,5-DIBROMO-4-PYRIDINOL

4-Pyridinol, 3,5-dibromo- Specification

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