3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester supplier

Name
[5-(METHOXYCARBONYL)PYRIDIN-3-YL]BORONIC ACID
EINECS
CAS No. 871329-53-2
Density 1.33 g/cm³
Solubility
Melting Point 102-108 °C
Formula C₇H₈BNO₄
Boiling Point 377.2 °C at 760 mmHg
Molecular Weight 180.956
Flash Point 181.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(Methoxycarbonyl)pyridin-3-ylboronicacid;
PSA 79.65000
LogP -1.45200

3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester Specification

The 3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester, with the CAS registry number of 871329-53-2, is also known as 5-(Methoxycarbonyl)pyridine-3-boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes; Pyridines. This chemical's molecular formula is C₇H₈BNO₄ and molecular weight is 180.95. What's more, its systematic name is called [5-(Methoxycarbonyl)pyridin-3-yl]boronic acid.

Physical properties about 3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11.97; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 79.65 Å²; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 42.19 cm³; (13)Molar Volume: 136 cm³; (14)Polarizability: 16.72×10^-24 cm³; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.33 g/cm³; (17)Flash Point: 181.9 °C; (18)Enthalpy of Vaporization: 65.93 kJ/mol; (19)Boiling Point: 377.2 °C at 760 mmHg; (20)Melting Point: 102-108 °C; (21)Vapour Pressure: 2.32E-06 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cc(cnc1)C(=O)OC
(2) InChI: InChI=1/C7H8BNO4/c1-13-7(10)5-2-6(8(11)12)4-9-3-5/h2-4,11-12H,1H3
(3) InChIKey: PGTWAVVFCNTGCS-UHFFFAOYAK

Product Name

[5-(METHOXYCARBONYL)PYRIDIN-3-YL]BORONIC ACID

3-Pyridinecarboxylicacid, 5-borono-, 3-methyl ester Specification

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