1(2H)-Phthalazinone, 4-phenyl- supplier

Name
4-PHENYL-1(2H)-PHTHALAZINONE
EINECS
CAS No. 5004-45-5
Article Data36
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 240-244 °C(lit.)
Formula C₁₄H₁₀N₂O
Boiling Point 481.7 °C at 760 mmHg
Molecular Weight 222.246
Flash Point 245.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Hydroxy-4-phenylphthalazine;4-Phenyl-1(2H)-phthalazinone;4-Phenyl-2H-phthalazin-1-one;4-Phenylphthalazin-1-one;NSC 59;4-phenylphthalazin-1(2H)-one;
PSA 45.75000
LogP 2.59010

1(2H)-Phthalazinone, 4-phenyl- Specification

The 1(2H)-Phthalazinone, 4-phenyl-, with the CAS registry number 5004-45-5, has the systematic name of 4-phenylphthalazin-1(2H)-one. It belongs to the following product categories: Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyridazines. And the molecular formula of the chemical is C₁₄H₁₀N₂O.

The characteristics of 1(2H)-Phthalazinone, 4-phenyl- are as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 66.37 cm³; (15)Molar Volume: 179.1 cm³; (16)Polarizability: 26.31×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 245.1 °C; (20)Enthalpy of Vaporization: 77.49 kJ/mol; (21)Boiling Point: 481.7 °C at 760 mmHg; (22)Vapour Pressure: 6.65E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c3ccccc3\C(=N/N1)c2ccccc2
(2)InChI: InChI=1/C14H10N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)
(3)InChIKey: XCJLBNVENUPHEA-UHFFFAOYAU

Product Name

4-PHENYL-1(2H)-PHTHALAZINONE

1(2H)-Phthalazinone, 4-phenyl- Specification

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