tert-Butyl 5-bromonicotinate supplier

Name
5-BROMO-3-PYRIDINECARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 263270-02-6
Article Data10
CAS DataBase
Density 1.385 g/cm³
Solubility
Melting Point 53-55 °C
Formula C₁₀H₁₂BrNO₂
Boiling Point 279.8 °C at 760 mmHg
Molecular Weight 258.115
Flash Point 123 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Bromonicotinicacid tert-butyl ester;tert-Butyl 5-bromonicotinate;
PSA 39.19000
LogP 2.79940

tert-Butyl 5-bromonicotinate Specification

This chemical is called tert-Butyl 5-bromonicotinate, and its CAS registry number is 263270-02-6. With the molecular formula of C₁₀H₁₂BrNO₂, its molecular weight is 258.11. Additionally, its product categories are Blocks; Pyridines.

Other characteristics of the tert-Butyl 5-bromonicotinate can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 121.35; (6)ACD/BCF (pH 7.4): 121.36; (7)ACD/KOC (pH 5.5): 1079.86; (8)ACD/KOC (pH 7.4): 1079.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 57.67 cm³; (15)Molar Volume: 186.3 cm³; (16)Polarizability: 22.86×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.385 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 51.85 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00392 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(cnc1)C(=O)OC(C)(C)C
2.InChI: InChI=1/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-8(11)6-12-5-7/h4-6H,1-3H3
3.InChIKey: DINKXUCRJBUQAZ-UHFFFAOYAW

Product Name

5-BROMO-3-PYRIDINECARBOXYLIC ACID TERT-BUTYL ESTER

tert-Butyl 5-bromonicotinate Specification

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