-
Name
Methyl pyrimidine-5-carboxylate
- EINECS
- CAS No. 34253-01-5
- Article Data6
- CAS DataBase
- Density 1.213 g/cm3
- Solubility
- Melting Point 76-81°C
- Formula C6H6N2O2
- Boiling Point 224.3 °C at 760 mmHg
- Molecular Weight 138.126
- Flash Point 89.4 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 37/38-41
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 5-Pyrimidicarboxylic acid methyl ester;Methyl 5-pyrimidinecarboxylate;
- PSA 52.08000
- LogP 0.26320
Methyl pyrimidine-5-carboxylate Specification
The Methyl pyrimidine-5-carboxylate, with the cas registry number 34253-01-5, is also called 5-pyrimidinecarboxylic acid, methyl ester. It belongs to the following product categories: Building Blocks; Heterocyclic Building Blocks; Pyrimidines. And the molecular formula of the chemical is C6H6N2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.08 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 34.2 cm3; (9)Molar Volume: 113.7 cm3; (10)Polarizability: 13.56×10-24cm3; (11)Surface Tension: 48.6 dyne/cm; (12)Density: 1.213 g/cm3; (13)Flash Point: 89.4 °C; (14)Enthalpy of Vaporization: 46.08 kJ/mol; (15)Boiling Point: 224.3 °C at 760 mmHg; (16)Vapour Pressure: 0.092 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and it may cause serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1cncnc1
(2)InChI: InChI=1/C6H6N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-4H,1H3
(3)InChIKey: XMVNUAHPLDBEJH-UHFFFAOYAN
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