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Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

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Name

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

EINECS N/A
CAS No. 89793-11-3 Density 1.314 g/cm3
PSA 52.08000 LogP 1.22500
Solubility N/A Melting Point 111-113°C
Formula C7H7ClN2O2 Boiling Point 306.5 °C at 760 mmHg
Molecular Weight 186.598 Flash Point 139.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 89793-11-3 (METHYL 2-CHLORO-6-METHYLPYRIMIDINE-4-CARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

2-Chloro-6-methylpyrimidine-4-carboxylicacid methyl ester;Methyl 2-chloro-6-methyl-4-pyrimidinecarboxylate;

 

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate Specification

The Methyl 2-chloro-6-methylpyrimidine-4-carboxylate with the CAS number 89793-11-3 is also called 4-Pyrimidinecarboxylicacid, 2-chloro-6-methyl-, methyl ester. Its molecular formula is C7H7ClN2O2. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Pyrimidine series.

The properties of the Methyl 2-chloro-6-methylpyrimidine-4-carboxylate are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.38; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 64.71; (8)ACD/KOC (pH 7.4): 64.71; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 43.92 cm3; (15)Molar Volume: 141.9 cm3; (16)Polarizability: 17.41×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Enthalpy of Vaporization: 54.7 kJ/mol; (19)Vapour Pressure: 0.000768 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1nc(Cl)nc(c1)C
(2)InChI: InChI=1/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3
(3)InChIKey: ZNPORLVPCMFKOR-UHFFFAOYAW

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