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Methyl 2-chloropyrimidine-5-carboxylate

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Name

Methyl 2-chloropyrimidine-5-carboxylate

EINECS N/A
CAS No. 287714-35-6 Density 1.372 g/cm3
PSA 52.08000 LogP 0.91660
Solubility N/A Melting Point 76 °C
Formula C6H5ClN2O2 Boiling Point 242.8 °C at 760 mmHg
Molecular Weight 172.571 Flash Point 100.6 °C
Transport Information N/A Appearance White to off-white powder
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 287714-35-6 (Methyl 2-chloropyrimidine-5-carboxylate) Hazard Symbols HarmfulXn
Synonyms

2-Chloropyrimidine-5-carboxylicacid methyl ester;Methyl 2-chloropyrimidine-5-carboxylate;

Article Data 7

Methyl 2-chloropyrimidine-5-carboxylate Specification

The Methyl 2-chloropyrimidine-5-carboxylate, with the CAS registry number 287714-35-6, is also known as 2-Chloropyrimidine-5-carboxylicacid methyl ester. This chemical's molecular formula is C6H5ClN2O2 and formula weight is 172.57. What's more, its systematic name is methyl 2-chloropyrimidine-5-carboxylate.

Physical properties of Methyl 2-chloropyrimidine-5-carboxylate are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/BCF (pH 5.5): 2.74; (5)ACD/KOC (pH 5.5): 71.52; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 52.08 Å2; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 39.1 cm3; (12)Molar Volume: 125.7 cm3; (13)Surface Tension: 51.1 dyne/cm; (14)Density: 1.372 g/cm3; (15)Flash Point: 137.8 °C; (16)Enthalpy of Vaporization: 54.46 kJ/mol; (17)Boiling Point: 304.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000883 mmHg at 25°C.

Uses of Methyl 2-chloropyrimidine-5-carboxylate: it can be used to produce 2-hydrazino-pyrimidine-5-carboxylic acid methyl ester at the temperature of 0 - 5°C. It will need reagent hydrazine hydrate and solvent methanol with the reaction time of 40 min. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You shoul not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c2c(sc1)ccnc2
(2)InChI:InChI=1S/C7H4BrNS/c8-6-4-10-7-1-2-9-3-5(6)7/h1-4H
(3)InChIKey: AELJTKUDYYGBSY-UHFFFAOYSA-N

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