-
Name
2,4-Dichloro-5-pyrimidinecarbonyl chloride
- EINECS 638-925-2
- CAS No. 2972-52-3
- Article Data33
- CAS DataBase
- Density 1.675 g/cm3
- Solubility
- Melting Point
- Formula C5HCl3N2O
- Boiling Point 304.32 °C at 760 mmHg
- Molecular Weight 211.435
- Flash Point 137.848 °C
- Transport Information
- Appearance
- Safety 6-7/9-24/25-26-36/37/39-51
- Risk Codes 20/21/22-34
-
Molecular Structure
-
Hazard Symbols
C; 
Xi
- Synonyms 2,4-Dichloropyrimidine-5-carboxylic acid chloride;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carbonyl chloride;5-pyrimidinecarbonyl chloride, 2,4-dichloro-;
- PSA 42.85000
- LogP 2.16240
2,4-Dichloro-5-pyrimidinecarbonyl chloride Specification
The 2,4-Dichloro-5-pyrimidinecarbonyl chloride, with the CAS registry number 2972-52-3, has the systematic name of 2,4-dichloropyrimidine-5-carbonyl chloride. And the molecular formula of this chemical is C5HCl3N2O. It belongs to the following product categories: Pharmacetical; Pyrimidine series; Pyrimidines; Pyrimidine; Building Blocks.
The physical properties of 2,4-Dichloro-5-pyrimidinecarbonyl chloride are as following: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 42.47 cm3; (15)Molar Volume: 126.191 cm3; (16)Polarizability: 16.836×10-24cm3; (17)Surface Tension: 59.957 dyne/cm; (18)Density: 1.675 g/cm3; (19)Flash Point: 137.848 °C; (20)Enthalpy of Vaporization: 54.468 kJ/mol; (21)Boiling Point: 304.32 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)ncc1C(Cl)=O
(2)InChI: InChI=1/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H
(3)InChIKey: DZTIFMWYYHCREC-UHFFFAOYAH
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