CAS No.57319-65-0,6-AMINOPHTHALIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	57319-65-0
Name:	6-AMINOPHTHALIDE
Article Data:	40

Formula:	C₈H₇NO₂
Molecular Weight:	149.149
Synonyms:	Phthalide,6-amino- (6CI);5-Amino-3-oxo-1,3-dihydroisobenzofuran;6-Amino-1(3H)-isobenzofuranone;6-Amino-1,3-dihydroisobenzofuran-1-one;6-Amino-2-benzofuran-1(3H)-one;6-Amino-3H-isobenzofuran-1-one;6-Aminophthalide;NSC 49585;
EINECS:	260-675-4
Density:	1.376 g/cm³
Melting Point:	183 °C
Boiling Point:	420.2 °C at 760 mmHg
Flash Point:	248.3 °C
Solubility:	Soluble in water 1360 mg/L 25°C.
Appearance:	white to light yellow crystal powde
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	52.32000
LogP:	1.52040

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Specification

The 6-Aminophthalide, with the CAS registry number 57319-65-0, is also known as 6-Amino-1,3-dihydroisobenzofuran-1-one. It belongs to the product categories of Miscellaneous; Amines; Furan&Benzofuran; Fused Ring Systems. Its EINECS number is 260-675-4. This chemical's molecular formula is C₈H₇NO₂ and formula weight is 149.15. What's more, its IUPAC name and systematic name are the same which is called 6-amino-3H-2-benzofuran-1-one. This chemical is white to light yellow crystal powde.

Physical properties of 6-Aminophthalide: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.24; (8)ACD/KOC (pH 7.4): 18.68; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 39.78 cm³; (14)Molar Volume: 108.3 cm³; (15)Surface Tension: 63.5 dyne/cm; (16)Density: 1.376 g/cm³; (17)Melting Point: 183 °C; (18)Flash Point: 248.3 °C; (19)Enthalpy of Vaporization: 67.4 kJ/mol; (20)Boiling Point: 420.2 °C at 760 mmHg; (21)Vapour Pressure: 2.87E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-nitro-3H-isobenzofuran-1-one. This reaction will need reagent nickel /kieselguhr, ethanol. The reaction temperature is 150 ℃.

Uses of 6-Aminophthalide: it can be used to produce 6-acetylamino-phthalide. This reaction will need reagent concentrated sulfuric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2=C(C=C(C=C2)N)C(=O)O1
(2)InChI: InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2
(3)InChIKey: ZIJZDNKZJZUROE-UHFFFAOYSA-N