N-METHYLISATIN

The CAS register number of 1-methyl-1H-indole-2,3-dione is 2058-74-4. It also can be called as N-Methylisatin and the IUPAC name about this chemical is 1-methylindole-2,3-dione. The molecular formula about this chemical is C₉H₇NO₂ and the molecular weight is 161.16. It belongs to the following product categories which include Pharmacetical; Building Blocks; Heterocyclic Building Blocks; Indoles and so on.

Physical properties about 1-methyl-1H-indole-2,3-dione are: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): 0.58; (4)ACD/BCF (pH 5.5): 1.62; (5)ACD/BCF (pH 7.4): 1.62; (6)ACD/KOC (pH 5.5): 49.26; (7)ACD/KOC (pH 7.4): 49.26; (8)#H bond acceptors: 3; (9)Polar Surface Area: 37.38Ų; (10)Index of Refraction: 1.607; (11)Molar Refractivity: 42.35 cm³; (12)Molar Volume: 122.5 cm³; (13)Polarizability: 16.78x10^-24cm³; (14)Surface Tension: 52 dyne/cm; (15)Flash Point: 137.4 °C; (16)Enthalpy of Vaporization: 53.39 kJ/mol; (17)Boiling Point: 294.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00164 mmHg at 25°C.

Uses of 1-methyl-1H-indole-2,3-dione: it can be used to produce 3-hydroxy-1-methyl-3-phenacyl-indolin-2-one with 1-phenyl-ethanone. This reaction will need reagent ethanol and diethylamine.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to respiratory system and skin. It has risk of serious damage to the eyes. When you are using it, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1N(C2=O)C
(2)InChI: InChI=1/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
(3)InChIKey: VCYBVWFTGAZHGH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
(5)Std. InChIKey: VCYBVWFTGAZHGH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	685mg/kg (685mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.