CAS No.25947-11-9,(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25947-11-9
Name:	(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)ACETIC ACID

Formula:	C₁₀H₈N₂O₃
Molecular Weight:	204.185
Synonyms:	1-Phthalazineacetic acid, 4-hydroxy-;(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid;(4-Oxo-3,4-dihydro-1-phthalazinyl)acetic acid;(4-Hydroxyphthalazin-1-yl)acetic acid;
Density:	1.48 g/cm³
Melting Point:	220 °C
Boiling Point:	220 °C at 760 mmHg
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	83.05000
LogP:	0.55020

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Specification

The 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, with the CAS registry number 25947-11-9, is also known as 1-Phthalazineacetic acid, 4-hydroxy-. It belongs to the product categories of Acetics acid and esters. This chemical's molecular formula is C₁₀H₈N₂O₃ and molecular weight is 204.18. What's more, its systematic name is (4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid.

Physical properties of 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -3.24; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.97 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 52.19 cm³; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 20.69×10^-24 cm³; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.48 g/cm³.

Uses of 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-: it can be used to produce (4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid methyl ester at the ambient temperature. It will need reagent K₂CO₃ and solvents H₂O, hexamethylphosphoric acid triamide with the reaction time of 1 hour. The yield is about 61%.

Uses of 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo- can be used to produce (4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid methyl ester at the ambient temperature.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)O
(2)InChI: InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)
(3)InChIKey: ZEDQLIHBPGNGEC-UHFFFAOYSA-N