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

4-Chloroindole-3-carbaldehyde

Related Products

Hot Products

Name

4-Chloroindole-3-carbaldehyde

EINECS N/A
CAS No. 876-72-2 Density 1.431 g/cm3
PSA 32.86000 LogP 2.63380
Solubility N/A Melting Point 164 °C
Formula C9H6ClNO Boiling Point 373.4 °C at 760 mmHg
Molecular Weight 179.60 Flash Point 179.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 876-72-2 (4-Chloroindole-3-carbaldehyde) Hazard Symbols IrritantXi
Synonyms

Indole-3-carboxaldehyde,4-chloro- (7CI,8CI);4-Chloro-1H-indole-3-carboxaldehyde;4-Chloro-3-indolecarbaldehyde;4-Chloro-3-indolecarboxaldehyde;

Article Data 15

4-Chloroindole-3-carbaldehyde Specification

The 1H-Indole-3-carboxaldehyde,4-chloro- is an organic compound with the formula C9H6ClNO. The IUPAC name of this chemical is 4-chloro-1H-indole-3-carbaldehyde. With the CAS registry number 876-72-2, it is also named as 4-Chloroindole-3-carbaldehyde. The product's category is Indole.   

The other characteristics of 1H-Indole-3-carboxaldehyde,4-chloro- can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.78; (6)ACD/BCF (pH 7.4): 31.78; (7)ACD/KOC (pH 5.5): 413.88; (8)ACD/KOC (pH 7.4): 413.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.731; (13)Molar Refractivity: 50.17 cm3; (14)Molar Volume: 125.4 cm3; (15)Polarizability: 19.89×10-24 cm3; (16)Surface Tension: 61.6 dyne/cm; (17)Enthalpy of Vaporization: 62.07 kJ/mol; (18)Vapour Pressure: 8.99E-06 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 179.013792; (22)MonoIsotopic Mass: 179.013792; (23)Topological Polar Surface Area: 32.9; (24)Heavy Atom Count: 12; (25)Complexity: 185.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc2cccc1ncc(C=O)c12
2. InChI:InChI=1/C9H6ClNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H 
3. InChIKey:MSYJFNQAVTYKOP-UHFFFAOYAL
4. Std. InChI:InChI=1S/C9H6ClNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H 
5. Std. InChIKey:MSYJFNQAVTYKOP-UHFFFAOYSA-N

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 876-72-2