INDOLE-3-ACETIC ACID HYDRAZIDE

The 1H-Indole-3-aceticacid, hydrazide, with the CAS registry number 5448-47-5, is also known as NSC17812. It belongs to the product categories of Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks; Indoles. Its EINECS registry number is 226-672-7. This chemical's molecular formula is C₁₀H₁₁N₃O and molecular weight is 189.090212. Its IUPAC name is called 2-(1H-indol-3-yl)acetohydrazide. This chemical is beige to pale brown fine crystalline powder. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You must avoid contacting it with skin and eyes.

Physical properties of 1H-Indole-3-aceticacid, hydrazide: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.6; (8)ACD/KOC (pH 7.4): 25.78; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 55.23 cm³; (14)Molar Volume: 144.3 cm³; (15)Surface Tension: 64.7 dyne/cm; (16)Density: 1.311 g/cm³; (17)Flash Point: 267.1 °C; (18)Enthalpy of Vaporization: 79.05 kJ/mol; (19)Boiling Point: 518 °C at 760 mmHg; (20)Vapour Pressure: 7.76E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by indol-3-yl-acetic acid methyl ester. This reaction will need reagent 99 percent hydrazine hydrate and solvent ethanol. The reaction time is 28 hours. The yield is about 68%.

Uses of 1H-Indole-3-aceticacid, hydrazide: it can be used to produce N-(5-Nitro-2-furfurylidene)-[(3-indolyl)methylene]-carbonylhydrazine by heating. This reaction will need solvent methanol with reaction time of 1 hour. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)NN
(2)InChI: InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)
(3)InChIKey: GYHLCXMCGCVVCG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01105,