Ethanone,1-(6-bromo-1H-indol-3-yl)- supplier

Name
3-Acetyl-6-bromoindole
EINECS
CAS No. 316181-82-5
Article Data18
CAS DataBase
Density 1.592 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO
Boiling Point 388.995 °C at 760 mmHg
Molecular Weight 238.084
Flash Point 189.058 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Acetyl-6-bromoindole;1-(6-Bromo-1H-indol-3-yl)ethanone;
PSA 32.86000
LogP 3.13300

Ethanone,1-(6-bromo-1H-indol-3-yl)- Specification

The CAS register number of Ethanone,1-(6-bromo-1H-indol-3-yl)- is 316181-82-5. It also can be called as 3-Acetyl-6-bromoindole and the systematic name about this chemical is 1-(6-bromo-1H-indol-3-yl)ethanone. The molecular formula about this chemical is C₁₀H₈BrNO and the molecular weight is 238.08062. It belongs to the Indole.

Physical properties about Ethanone,1-(6-bromo-1H-indol-3-yl)- are: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 83; (5)ACD/BCF (pH 7.4): 83; (6)ACD/KOC (pH 5.5): 826; (7)ACD/KOC (pH 7.4): 826; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.86Å²; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 56.247 cm³; (14)Molar Volume: 149.587 cm³; (15)Polarizability: 22.298x10^-24cm³; (16)Surface Tension: 54.475 dyne/cm; (17)Flash Point: 189.058 °C; (18)Enthalpy of Vaporization: 63.827 kJ/mol; (19)Boiling Point: 388.995 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c2cnc1cc(Br)ccc12
(2)InChI: InChI=1/C10H8BrNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3
(3)InChIKey: JKNOMMZAFCVSGO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H8BrNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3
(5)Std. InChIKey: JKNOMMZAFCVSGO-UHFFFAOYSA-N

Product Name

3-Acetyl-6-bromoindole

Ethanone,1-(6-bromo-1H-indol-3-yl)- Specification

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