3-Phthalimidopropionaldehyde supplier

Name
3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONALDEHYDE
EINECS
CAS No. 2436-29-5
Article Data67
CAS DataBase
Density 1.319 g/cm³
Solubility
Melting Point 136-141 °C
Formula C₁₁H₉NO₃
Boiling Point 352.7 °C at 760 mmHg
Molecular Weight 203.197
Flash Point 165 °C
Transport Information
Appearance white solid
Safety 26-36/37
Risk Codes 22-36-43
Molecular Structure
Hazard Symbols Xn
Synonyms Phthalimide,N-(2-formylethyl)- (7CI,8CI);1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanal;2-(3-Oxopropyl)isoindole-1,3-dione;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanal;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propionaldehyde;3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionaldehyde;3-Phthalimidopropionaldehyde;N-(2-Formylethyl)phthalimide;NSC 166600;b-Phthalimidopropionaldehyde;
PSA 54.45000
LogP 0.80950

3-Phthalimidopropionaldehyde Specification

The 3-Phthalimidopropionaldehyde with the cas number 2436-29-5 is also called 2H-Isoindole-2-propanal,1,3-dihydro-1,3-dioxo-. The IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propanal. Its molecular formula is C₁₁H₉NO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154.19; (8)ACD/KOC (pH 7.4): 154.19; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 51.78 cm³; (15)Molar Volume: 153.9 cm³; (16)Polarizability: 20.53×10^-24cm³; (17)Surface Tension: 54.4 dyne/cm; (18)Enthalpy of Vaporization: 59.75 kJ/mol; (19)Vapour Pressure: 3.77×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCC=O
(2)InChI: InChI=1/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2
(3)InChIKey: IBSDSIHTMABATG-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1055mg/kg (1055mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmaceutical Sciences. Vol. 57, Pg. 815, 1968.

Product Name

3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONALDEHYDE

3-Phthalimidopropionaldehyde Specification

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