4(3H)-Pyrimidinone, 2-chloro- supplier

Name
4(1H)-Pyrimidinone, 2-chloro- (9CI)
EINECS
CAS No. 55873-09-1
Article Data2
CAS DataBase
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₄H₃ClN₂O
Boiling Point 328.1 °C at 760 mmHg
Molecular Weight 130.534
Flash Point 152.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-hydroxypyrimidine;4(1H)-Pyrimidinone,2-chloro- (9CI);
PSA 46.01000
LogP 0.83560

4(3H)-Pyrimidinone, 2-chloro- Specification

This chemical is called 4(3H)-Pyrimidinone, 2-chloro-, and its systematic name is 2-chloropyrimidin-4(3H)-one. With the molecular formula of C₄H₃ClN₂O, its molecular weight is 130.53. The CAS registry number of this chemical is 55873-09-1. Additionally, its product category is Pyrimidine.

Other characteristics of the 4(3H)-Pyrimidinone, 2-chloro- can be summarised as followings: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.28; (7)ACD/KOC (pH 7.4): 3.01; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 41.46 Å²; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 29.98 cm³; (14)Molar Volume: 84 cm³; (15)Polarizability: 11.88×10^-24cm³; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.55 g/cm³; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 59.32 kJ/mol; (20)Boiling Point: 328.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1\C=C/N=C(/Cl)N1
2.InChI: InChI=1/C4H3ClN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
3.InChIKey: FETSYNXZMUAONO-UHFFFAOYAR

Product Name

4(1H)-Pyrimidinone, 2-chloro- (9CI)

4(3H)-Pyrimidinone, 2-chloro- Specification

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