1-Methylisatin , >97.0%(GC) , 2058-74-4

Synonym(s):
N-Methylindoline-2,3-dione;NSC 42449

CAS NO.：2058-74-4

Empirical Formula: C9H7NO2

Molecular Weight: 161.16

MDL number: MFCD00005812

EINECS: 218-164-9

PRODUCT Properties

• Melting point: 130-133 °C (lit.)
• Boiling point: 287.44°C (rough estimate)
• Density: 1.314
• refractive index: 1.5050 (estimate)
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• form: Crystalline Powder
• pka: -2.41±0.20(Predicted)
• color: Orange to brownish
• Water Solubility: Insoluble in water.
• λmax: 427nm(CH2Cl2)(lit.)
• BRN: 128280
• InChI: InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
• InChIKey: VCYBVWFTGAZHGH-UHFFFAOYSA-N
• SMILES: N1(C)C2=C(C=CC=C2)C(=O)C1=O
• CAS DataBase Reference: 2058-74-4(CAS DataBase Reference)

Description and Uses

• Reactant for stereoselective preparation of spirobicyclic and bis-spirotricyclic pyrazolidinones
• Reactant for regioselective preparation of spirocyclic oxindole-butenolides
• Reactant for synthesis of spiro-oxindoles
• Reactant for preparation of unsymmetrical oxindoles
• Reactant for stereoselective preparation of hydroxyloxindoles via Morita-Baylis-Hillman reaction
• Reactant for preparation of pyridinecarboxylic acid [(oxo)indolylidene)hydrazide derivatives (Schiff base hydrazides) as antibacterial agents

Safety

• Symbol(GHS): GHS05,GHS06
• Signal word: Danger
• Hazard statements: H301-H315-H318-H335
• Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
• target organs: Respiratory system
• PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• Hazard Codes: T
• Risk Statements: 25-37/38-41
• Safety Statements: 26-39-45
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: NL7939000
• HazardClass: IRRITANT
• HS Code: 29337900
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Acute Tox. 3 Oral; Eye Dam. 1; Skin Irrit. 2; STOT SE 3
• Toxicity: mouse,LD50,intraperitoneal,685mg/kg (685mg/kg),LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.
• Limited Quantities: 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)