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CAS No.: | 2972-52-3 |
---|---|
Name: | 2,4-Dichloro-5-pyrimidinecarbonyl chloride |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C5HCl3N2O |
Molecular Weight: | 211.435 |
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-; |
EINECS: | 638-925-2 |
Density: | 1.675 g/cm3 |
Boiling Point: | 304.32 °C at 760 mmHg |
Flash Point: | 137.848 °C |
Hazard Symbols: | C; Xi |
Risk Codes: | 20/21/22-34 |
Safety: | 6-7/9-24/25-26-36/37/39-51 |
PSA: | 42.85000 |
LogP: | 2.16240 |
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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