CAS No.14352-51-3,3-IMINOISOINDOLINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14352-51-3
Name:	3-IMINOISOINDOLINONE
Article Data:	22

Formula:	C₈H₆N₂O
Molecular Weight:	146.148
Synonyms:	Phthalimidine,3-imino- (6CI,7CI,8CI);3-Aminoisoindol-1-one;3-Imino-1-isoindolinone;3-Imino-1-oxoisoindoline;3-Imino-2,3-dihydroisoindol-1-one;3-Iminoisoindolinone;Iminophthalimidine;Phthalimide monoimine;
EINECS:	238-314-7
Density:	1.41 g/cm³
Melting Point:	208-210 °C(lit.)
Boiling Point:	336.3 °C at 760 mmHg
Flash Point:	157.2 °C
PSA:	52.95000
LogP:	1.18390

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Specification

The 1H-Isoindol-1-one,3-amino-, with the CAS registry number 14352-51-3, is also known as 2,3-Dihydro-3-imino-1H-isoindol-1-one. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Indoles. Its EINECS registry number is 238-314-7. This chemical's molecular formula is C₈H₆N₂O and molecular weight is 146.14604. Its IUPAC name is called 3-aminoisoindol-1-one. This chemical's classification code is Drug / Therapeutic Agent. The product should be sealed and stored in cool and dry place.

Physical properties of 1H-Isoindol-1-one,3-amino-: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): 0.41; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 1.21; (5)ACD/BCF (pH 7.4): 1.21; (6)ACD/KOC (pH 5.5): 39.93; (7)ACD/KOC (pH 7.4): 39.94; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Index of Refraction: 1.707; (11)Molar Refractivity: 40.13 cm³; (12)Molar Volume: 102.9 cm³; (13)Surface Tension: 59.7 dyne/cm; (14)Density: 1.41 g/cm³; (15)Flash Point: 157.2 °C; (16)Enthalpy of Vaporization: 57.94 kJ/mol; (17)Boiling Point: 336.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000113 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-cyano-benzamide. This reaction will need reagent diluted NaOH-solution.

Uses of 1H-Isoindol-1-one,3-amino-: it can be used to produce 3-phenylimino-isoindolin-1-one. This reaction will need reagent methanol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=NC2=O)N
(2)InChI: InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)
(3)InChIKey: MMBYJYAFFGKUDC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	300mg/kg (300mg/kg)		Pharmaceutical Research. Vol. 1, Pg. 250, 1984.