1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)- supplier

Name
2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
EINECS
CAS No. 5450-40-8
Article Data50
CAS DataBase
Density 1.404 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁NO₃
Boiling Point 461.5 °C at 760 mmHg
Molecular Weight 241.246
Flash Point 232.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Naphthalimide,N-(2-hydroxyethyl)- (6CI,7CI,8CI);2-Naphthalimidoethyl alcohol;N-(2-Hydroxyethyl)-1,8-naphthalimide;NSC 11547;2-(2-Hydroxy-ethyl)-benzo[de]isoquinoline-1,3-dione;2-(2-Hydroxyethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione;
PSA 59.30000
LogP 0.94500

1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)- Specification

The 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)-, with the CAS registry number 5450-40-8, is also known as 2-(2-Hydroxy-ethyl)-benzo[de]isoquinoline-1,3-dione. This chemical's molecular formula is C₁₄H₁₁NO₃ and molecular weight is 241.24. What's more, its systematic name is 2-(2-Hydroxyethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione.

Physical properties of 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.61 Å²; (7)Index of Refraction: 1.699; (8)Molar Refractivity: 66.34 cm³; (9)Molar Volume: 171.7 cm³; (10)Polarizability: 26.3×10^-24cm³; (11)Surface Tension: 66.8 dyne/cm; (12)Density: 1.404 g/cm³; (13)Flash Point: 232.9 °C; (14)Enthalpy of Vaporization: 76.11 kJ/mol; (15)Boiling Point: 461.5 °C at 760 mmHg; (16)Vapour Pressure: 2.59E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by naphthalene-1,8-dicarboxylic acid anhydride, 2-amino-ethanol at the temperature of 100 °C. This reaction will need solvent N,N-dimethyl-acetamide with the reaction time of 3 hours. The yield is about 81%.

1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)- can be prepared by naphthalene-1,8-dicarboxylic acid anhydride, 2-amino-ethanol at the temperature of 100 °C

Uses of 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)-: it can be used to produce 2-(2-chloro-ethyl)-benz[de]isoquinoline-1,3-dione by heating. It will need reagent thionyl chloride and solvent chlorobenzene with the reaction time of 2 hours. The yield is about 92%.

1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)- can be used to produce 2-(2-chloro-ethyl)-benz[de]isoquinoline-1,3-dione by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCO
(2)InChI: InChI=1S/C14H11NO3/c16-8-7-15-13(17)10-5-1-3-9-4-2-6-11(12(9)10)14(15)18/h1-6,16H,7-8H2
(3)InChIKey: XKPZHSCHHBRGLY-UHFFFAOYSA-N

Product Name

2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

1H-Benz[de]isoquinoline-1,3(2H)-dione,2-(2-hydroxyethyl)- Specification

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