Ethanone,1-(5-bromo-6-methoxy-2-naphthalenyl)- supplier

Name
2-ACETYL-5-BROMO-6-METHOXYNAPHTHALENE
EINECS
CAS No. 84167-74-8
Article Data11
CAS DataBase
Density 1.429 g/cm³
Solubility
Melting Point 152-154°C(lit.)
Formula C₁₃H₁₁BrO₂
Boiling Point 389 °C at 760 mmHg
Molecular Weight 279.133
Flash Point 189.1 °C
Transport Information
Appearance
Safety
Risk Codes R34
Molecular Structure
Hazard Symbols C
Synonyms 2-Acetyl-5-bromo-6-methoxynaphthalene;5-Bromo-6-methoxy-2-naphthyl methyl ketone;6-Acetyl-1-bromo-2-methoxynaphthalene;2'-Acetonaphthone,5'-bromo-6'-methoxy- (7CI);1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone;ethanone, 1-(5-bromo-6-methoxy-2-naphthalenyl)-;Ethanone, 1-(5-bromo-6-methoxy-2-naphthyl)-;
PSA 26.30000
LogP 3.81350

Ethanone,1-(5-bromo-6-methoxy-2-naphthalenyl)- Specification

The Ethanone,1-(5-bromo-6-methoxy-2-naphthalenyl)-, with the CAS registry number 84167-74-8, has the systematic name of 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₃H₁₁BrO₂.

The characteristics of Ethanone,1-(5-bromo-6-methoxy-2-naphthalenyl)- are as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.21; (6)ACD/BCF (pH 7.4): 219.21; (7)ACD/KOC (pH 5.5): 1648.92; (8)ACD/KOC (pH 7.4): 1648.92; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 68.49 cm³; (15)Molar Volume: 195.2 cm³; (16)Polarizability: 27.15×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.429 g/cm³; (19)Flash Point: 189.1 °C; (20)Enthalpy of Vaporization: 63.83 kJ/mol; (21)Boiling Point: 389 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc2c(c1)ccc(OC)c2Br)C
(2)InChI: InChI=1/C13H11BrO2/c1-8(15)9-3-5-11-10(7-9)4-6-12(16-2)13(11)14/h3-7H,1-2H3
(3)InChIKey: KDDYYAXVVDTNND-UHFFFAOYAP

Product Name

2-ACETYL-5-BROMO-6-METHOXYNAPHTHALENE

Ethanone,1-(5-bromo-6-methoxy-2-naphthalenyl)- Specification

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