2-Pyrimidineaceticacid, 5-bromo-, ethyl ester supplier

Name
(5-Bromopyrimidin-2-yl)acetic acid ethyl ester
EINECS
CAS No. 1134327-91-5
Density 1.518 g/cm³
Solubility
Melting Point
Formula C₈H₉BrN₂O₂
Boiling Point 295.9 °C at 760 mmHg
Molecular Weight 245.076
Flash Point 132.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Bromopyrimidin-2-yl)acetic acid ethyl ester;
PSA 52.08000
LogP 1.34470

2-Pyrimidineaceticacid, 5-bromo-, ethyl ester Specification

The 2-Pyrimidineaceticacid, 5-bromo-, ethyl ester, with the CAS registry number of 1134327-91-5, is also known as (5-Bromopyrimidin-2-yl)acetic acid ethyl ester. This chemical's molecular formula is C₈H₉BrN₂O₂ and molecular weight is 245.07326. What's more, its systematic name is Ethyl (5-bromopyrimidin-2-yl)acetate.

Physical properties about 2-Pyrimidineaceticacid, 5-bromo-, ethyl ester are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.29; (6)ACD/BCF (pH 7.4): 6.29; (7)ACD/KOC (pH 5.5): 129.77; (8)ACD/KOC (pH 7.4): 129.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 50.71 cm³; (15)Molar Volume: 161.3 cm³; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.518 g/cm³; (18)Flash Point: 132.8 °C; (19)Enthalpy of Vaporization: 53.57 kJ/mol; (20)Boiling Point: 295.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00148 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)Cc1ncc(cn1)Br
(2) InChI: InChI=1/C8H9BrN2O2/c1-2-13-8(12)3-7-10-4-6(9)5-11-7/h4-5H,2-3H2,1H3
(3) InChIKey: WJXDNGKSVNQDBZ-UHFFFAOYAC

Product Name

(5-Bromopyrimidin-2-yl)acetic acid ethyl ester

2-Pyrimidineaceticacid, 5-bromo-, ethyl ester Specification

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