2(1H)-Quinolinone,3-bromo- supplier

Name
3-BROMOQUINOLIN-2(1H)-ONE
EINECS
CAS No. 939-16-2
Article Data18
CAS DataBase
Density 1.666 g/cm³
Solubility
Melting Point 260-265°C
Formula C₉H₆BrNO
Boiling Point 395.2 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 192.8 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms Carbostyril,3-bromo- (7CI,8CI);3-Bromo-2(1H)-quinolinone;3-Bromo-2-quinolinone;3-Bromocarbostyril;NSC 108495;3-bromo-1H-quinolin-2-one;3-bromoquinolin-2(1H)-one;2(1H)-quinolinone, 3-bromo-;
PSA 33.12000
LogP 2.70290

2(1H)-Quinolinone,3-bromo- Specification

The 2(1H)-Quinolinone,3-bromo-, with the CAS registry number 939-16-2, has the systematic name of 3-bromoquinolin-2(1H)-one. And it is also called 3-bromo-1H-quinolin-2-one. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₉H₆BrNO.

The characteristics of 2(1H)-Quinolinone,3-bromo- 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): 9.96; (6)ACD/BCF (pH 7.4): 9.94; (7)ACD/KOC (pH 5.5): 180.42; (8)ACD/KOC (pH 7.4): 180.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 49.29 cm³; (15)Molar Volume: 134.4 cm³; (16)Polarizability: 19.54×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.666 g/cm³; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 64.54 kJ/mol; (21)Boiling Point: 395.2 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br\C2=C\c1c(cccc1)NC2=O
(2)InChI: InChI=1/C9H6BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)
(3)InChIKey: AGARPHPERRYPRP-UHFFFAOYAM

Product Name

3-BROMOQUINOLIN-2(1H)-ONE

2(1H)-Quinolinone,3-bromo- Specification

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