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| CAS No.: | 14305-08-9 |
|---|---|
| Name: | 4,5-DIBROMO-2-PHENYL-2,3-DIHYDROPYRIDAZIN-3-ONE |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H6Br2N2O |
| Molecular Weight: | 329.978 |
| Synonyms: | 4,5-Dibromo-2-phenyl-3(2H)-pyridazinone; |
| EINECS: | 200-001-2 |
| Density: | 1.89 g/cm3 |
| Melting Point: | 143ºC |
| Boiling Point: | 340.1 °C at 760 mmHg |
| Flash Point: | 159.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 34.89000 |
| LogP: | 2.75750 |
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- Total:27 Page 1 of 1 1
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Specification
The 3(2H)-Pyridazinone,4,5-dibromo-2-phenyl-, with the CAS registry number 14305-08-9, is also known as 4,5-Dibromo-2-phenyl-3(2H)-pyridazinone. It belongs to the product categories of Halides; Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C10H6Br2N2O and molecular weight is 329.97544. Its IUPAC name is called 4,5-dibromo-2-phenylpyridazin-3-one. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. What's more, this chemical's classification code is Drug / Therapeutic Agent.
Physical properties of 3(2H)-Pyridazinone,4,5-dibromo-2-phenyl-: (1)ACD/LogP: 2.10; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.687; (5)Molar Refractivity: 66.5 cm3; (6)Molar Volume: 174.4 cm3; (7)Surface Tension: 56 dyne/cm; (8)Density: 1.89 g/cm3; (9)Flash Point: 159.5 °C; (10)Enthalpy of Vaporization: 58.36 kJ/mol; (11)Boiling Point: 340.1 °C at 760 mmHg; (12)Vapour Pressure: 8.82E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br
(2)InChI: InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: NQJXEMRMTOSSBQ-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, Pg. 921, 1985. |