CAS No.13645-74-4,4,5-DIBROMO-2-METHYL-2H-PYRIDAZIN-3-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13645-74-4
Name:	4,5-DIBROMO-2-METHYL-2H-PYRIDAZIN-3-ONE
Article Data:	9

Formula:	C₅H₄Br₂N₂O
Molecular Weight:	267.908
Synonyms:	2-Methyl-4,5-dibromo-3(2H)-pyridazinone;4,5-Dibromo-2-methylpyridazin-3(2H)-one;4,5-Dibromo-2-methyl-2H-pyridazin-3-one;
Density:	2.2g/cm³
Melting Point:	120 °C
Boiling Point:	236.9 °C at 760 mmHg
Flash Point:	97.1°C
PSA:	34.89000
LogP:	1.30530

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Specification

The 3(2H)-Pyridazinone,4,5-dibromo-2-methyl- with CAS registry number of 13645-74-4 is also known as 2-Methyl-4,5-dibromo-3(2H)-pyridazinone. The IUPAC name is 4,5-Dibromo-2-methylpyridazin-3-one and the systematic name is 4,5-Dibromo-2-methylpyridazin-3(2H)-one. Its Classification Code is Drug / Therapeutic Agent. In addition, the formula is C₅H₄Br₂N₂O and the molecular weight is 267.91.

Physical properties about this chemical are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 32.67Å²; (7)Index of Refraction: 1.679; (8)Molar Refractivity: 45.82 cm³; (9)Molar Volume: 121.3 cm³; (10)Polarizability: 18.16×10^-24cm³; (11)Surface Tension: 55.7 dyne/cm; (12)Density: 2.2 g/cm³; (13)Flash Point: 97.1 °C; (14)Enthalpy of Vaporization: 47.37 kJ/mol; (15)Boiling Point: 236.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0461 mmHg at 25 °C.

Preparation of 3(2H)-Pyridazinone,4,5-dibromo-2-methyl-: it is prepared by reaction of Methylhydrazine with 2,3-Dibromo-4-oxo-cis-crotonic acid. The yield is about 60%.

3(2H)-Pyridazinone,4,5-dibromo-2-methyl- is prepared by reaction of Methylhydrazine with 2,3-Dibromo-4-oxo-cis-crotonic acid.

Uses of 3(2H)-Pyridazinone,4,5-dibromo-2-methyl-: it is used to produce 4-Bromo-2-methyl-5-(N-methyl-hydrazino)-2H-pyridazin-3-one by reaction with Methylhydrazine. The reaction occurs with solvent Methanol for 6 hours. The yield is 55%.

3(2H)-Pyridazinone,4,5-dibromo-2-methyl- is used to produce 4-Bromo-2-methyl-5-(N-methyl-hydrazino)-2H-pyridazin-3-one by reaction with Methylhydrazine.

You can still convert the following datas into molecular structure:
1. SMILES: Br\C1=C(/Br)\C=N/N(C1=O)C
2. InChI: InChI=1/C5H4Br2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
3. InChIKey: SLVVMPLOQDFREV-UHFFFAOYAS
4. Std. InChI: InChI=1S/C5H4Br2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
5. Std. InChIKey: SLVVMPLOQDFREV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 300mg/kg (300mg/kg)		Farmaco, Edizione Scientifica. Vol. 40, Pg. 921, 1985.
mouse	LD	oral	> 1gm/kg (1000mg/kg)		Farmaco, Edizione Scientifica. Vol. 40, 921.