Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

5-Chloroindole-2-carboxylic acid

Related Products

Hot Products

Name

5-Chloroindole-2-carboxylic acid

EINECS 234-050-1
CAS No. 10517-21-2 Density 1.548 g/cm3
PSA 53.09000 LogP 2.51950
Solubility easily soluble in water Melting Point 283-287 °C
Formula C9H6ClNO2 Boiling Point 449.7 °C at 760 mmHg
Molecular Weight 195.605 Flash Point 225.8 °C
Transport Information N/A Appearance light pink to beige or light brown powder
Safety 26-36-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 10517-21-2 (5-Chloroindole-2-carboxylic acid) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

5-Chloro indole-2-carboxylic acid;5-Chloroindole-2-carboxylicacid;5-chloro-1H-indole-2-carboxylate;5-Chloroindole-2-carboxylate;1H-Indole-2-carboxylic acid, 5-chloro-;5-chloro-1H-indole-2-carboxylic acid;

Article Data 15

5-Chloroindole-2-carboxylic acid Specification

The IUPAC name of this chemical is 5-chloro-1H-indole-2-carboxylic acid. With the CAS registry number 10517-21-2, it is also named as 1H-Indole-2-carboxylic acid, 5-chloro-. The product's categories are Indole / Indoline / Oxindole; Indole and Indoline; Indoles and Derivatives; Organic Acids; Indoles; Simple Indoles; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles Building Blocks. It is light pink to beige or light brown powder which is easily soluble in water and stable under normal temperature and pressure.

The other characteristics of 5-Chloroindole-2-carboxylic acid can be summarized as: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 5.45; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47.33; (8)ACD/KOC (pH 7.4): 1.42; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.728; (13)Molar Refractivity: 50.35 cm3; (14)Molar Volume: 126.3 cm3; (15)Polarizability: 19.96×10-24 cm3; (16)Surface Tension: 72.5 dyne/cm; (17)Enthalpy of Vaporization: 74.66 kJ/mol; (18)Vapour Pressure: 7.12E-09 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 5; (21)Exact Mass: 195.008706; (22)MonoIsotopic Mass: 195.008706; (23)Topological Polar Surface Area: 53.1; (24)Heavy Atom Count: 13; (25)Complexity: 222.

Uses of 5-Chloroindole-2-carboxylic acid: It can react with 1-chloro-propan-2-one to get 5-chloro-1H-indole-2-carboxylic acid 2-oxo-propyl ester. This reaction needs reagent aq. ethanolic K2CO3 by heating. The reaction time is 4.0 hours. The yield is 95%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cc2c(cc1)nc(c2)C(=O)O
2. InChI:InChI=1/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) 
3. InChIKey:FUQOTYRCMBZFOL-UHFFFAOYAC

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 550mg/kg (550mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 659, 1972.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 10517-21-2