4(1H)-Cinnolinone,6-bromo- supplier

Name
6-bromocinnolin-4(1H)-one
EINECS
CAS No. 552330-87-7
Article Data11
CAS DataBase
Density 1.822g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂O
Boiling Point 374.174 °C at 760 mmHg
Molecular Weight 225.044
Flash Point 180.095 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-bromocinnolin-4(1H)-one;6-broMo-1,4-dihydrocinnolin-4-one;6-BroMo-1H-cinnolin-4-one;6-Bromo-4(1H)-cinnolinone
PSA 45.75000
LogP 1.68560

4(1H)-Cinnolinone,6-bromo- Specification

The 4(1H)-Cinnolinone,6-bromo-, with CAS registry number 552330-87-7, has the systematic name of 6-bromocinnolin-4(1H)-one. Besides this, it is also called 6-Bromo-4-cinnolinol. Its molecular weight is 225.0421. And the chemical formula of this chemical is C₈H₅BrN₂O.

Physical properties of 4(1H)-Cinnolinone,6-bromo-: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.515; (4)ACD/LogD (pH 7.4): 1.515; (5)ACD/BCF (pH 5.5): 8.344; (6)ACD/BCF (pH 7.4): 8.344; (7)ACD/KOC (pH 5.5): 158.913; (8)ACD/KOC (pH 7.4): 158.913; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å²; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 48.829 cm³; (15)Molar Volume: 123.512 cm³; (16)Polarizability: 19.357×10^-24cm³; (17)Surface Tension: 59.036 dyne/cm; (18)Density: 1.822 g/cm³; (19)Flash Point: 180.095 °C; (20)Enthalpy of Vaporization: 62.153 kJ/mol; (21)Boiling Point: 374.174 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)c(=O)cn[nH]2
(2)InChI: InChI=1/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-4H,(H,11,12)
(3)InChIKey: VWMHMZLZLNLBPB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-4H,(H,11,12)
(5)Std. InChIKey: VWMHMZLZLNLBPB-UHFFFAOYSA-N

Product Name

6-bromocinnolin-4(1H)-one

4(1H)-Cinnolinone,6-bromo- Specification

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