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CAS No.: | 3177-20-6 |
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Name: | Methyl2,4-Dichloropyrimidine-5-carboxylate |
Molecular Structure: | |
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Formula: | C6H4Cl2N2O2 |
Molecular Weight: | 207.016 |
Synonyms: | 2,4-Dichloropyrimidine-5-carboxylicacid methyl ester;Methyl 2,4-dichloro-5-pyrimidinecarboxylate; |
Density: | 1.503 g/cm3 |
Melting Point: | 30-34 °C |
Boiling Point: | 299.3 °C at 760 mmHg |
Flash Point: | 134.8 °C |
Hazard Symbols: |
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Risk Codes: | 26-36/37/38 |
Safety: | 26 |
PSA: | 52.08000 |
LogP: | 1.57000 |
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The CAS register number of Methyl 2,4-dichloropyrimidine-5-carboxylate is 3177-20-6. It also can be called as 5-Pyrimidinecarboxylicacid, 2,4-dichloro-, methyl ester and the systematic name about this chemical is methyl 2,4-dichloropyrimidine-5-carboxylate. The molecular formula about this chemical is C6H4Cl2N2O2 and the molecular weight is 207.01. It belongs to the Pharmacetical.
Physical properties about Methyl 2,4-dichloropyrimidine-5-carboxylate are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 1.36; (3)ACD/LogD (pH 7.4): 1.36; (4)ACD/BCF (pH 5.5): 6.39; (5)ACD/BCF (pH 7.4): 6.39; (6)ACD/KOC (pH 5.5): 131.32; (7)ACD/KOC (pH 7.4): 131.32; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.08Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 43.99 cm3; (13)Molar Volume: 137.6 cm3; (14)Polarizability: 17.44x10-24cm3; (15)Surface Tension: 53.3 dyne/cm; (16)Flash Point: 134.8 °C; (17)Enthalpy of Vaporization: 53.93 kJ/mol; (18)Boiling Point: 299.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0012 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)ncc1C(=O)OC
(2)InChI: InChI=1/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3
(3)InChIKey: FNNAWVXVOHNOFF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3
(5)Std. InChIKey: FNNAWVXVOHNOFF-UHFFFAOYSA-N