4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)- supplier

Name
2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
EINECS
CAS No. 16867-35-9
Article Data10
CAS DataBase
Density 1.36g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂O
Boiling Point 319.2 °C at 760 mmHg
Molecular Weight 194.62
Flash Point 146.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloromethylpyrido[1,2-a]pyrimidin-4-one;
PSA 34.37000
LogP 1.43330

4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)- Specification

The 4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)-, with CAS registry number 16867-35-9, has the systematic name of 2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one. Its molecular weight is 194.6177. And the chemical formula of this chemical is C₉H₇ClN₂O.

Physical properties of 4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)-: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.1; (6)ACD/BCF (pH 7.4): 3.1; (7)ACD/KOC (pH 5.5): 78.14; (8)ACD/KOC (pH 7.4): 78.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 51.38 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 20.37×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 146.8 °C; (20)Enthalpy of Vaporization: 56.08 kJ/mol; (21)Boiling Point: 319.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000344 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC=1\N=C2\C=C/C=C\N2C(=O)C=1
(2)InChI: InChI=1/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
(3)InChIKey: QANDFEYEAYUSKD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
(5)Std. InChIKey: QANDFEYEAYUSKD-UHFFFAOYSA-N

Product Name

2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)- Specification

Related Products

Hot Products