2(1H)-Quinolinone,6-(2-bromoacetyl)-3,4-dihydro- supplier

Name
6-(2-BROMO-ACETYL)-3,4-DIHYDRO-1H-QUINOLIN-2-ONE
EINECS
CAS No. 70639-82-6
Density 1.545 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀BrNO₂
Boiling Point 469.6 °C at 760 mmHg
Molecular Weight 268.11
Flash Point 237.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2(1H)-Quinolinone,6-(bromoacetyl)-3,4-dihydro- (9CI);6-(1-Oxo-2-bromoethyl)-3,4-dihydrocarbostyril;6-(Bromoacetyl)-1,2,3,4-tetrahydro-2-quinolinone;6-(Bromoacetyl)-2-oxo-1,2,3,4-tetrahydroquinoline;6-(bromoacetyl)-3,4-dihydroquinolin-2(1H)-one;2(1H)-Quinolinone, 6-(2-bromoacetyl)-3,4-dihydro-;
PSA 46.17000
LogP 2.28690

2(1H)-Quinolinone,6-(2-bromoacetyl)-3,4-dihydro- Specification

The 2(1H)-Quinolinone,6-(2-bromoacetyl)-3,4-dihydro-, with the CAS registry number 70639-82-6, has the systematic name of 6-(bromoacetyl)-3,4-dihydroquinolin-2(1H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₀BrNO₂.

The characteristics of 2(1H)-Quinolinone,6-(2-bromoacetyl)-3,4-dihydro- are as followings: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.06; (6)ACD/BCF (pH 7.4): 10.06; (7)ACD/KOC (pH 5.5): 181.68; (8)ACD/KOC (pH 7.4): 181.68; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 59.66 cm³; (15)Molar Volume: 173.5 cm³; (16)Polarizability: 23.65×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.545 g/cm³; (19)Flash Point: 237.8 °C; (20)Enthalpy of Vaporization: 73.2 kJ/mol; (21)Boiling Point: 469.6 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(=O)c1ccc2c(c1)CCC(=O)N2
(2)InChI: InChI=1/C11H10BrNO2/c12-6-10(14)8-1-3-9-7(5-8)2-4-11(15)13-9/h1,3,5H,2,4,6H2,(H,13,15)
(3)InChIKey: CCMOBQFBGOEGEN-UHFFFAOYAH

Product Name

6-(2-BROMO-ACETYL)-3,4-DIHYDRO-1H-QUINOLIN-2-ONE

2(1H)-Quinolinone,6-(2-bromoacetyl)-3,4-dihydro- Specification

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