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CAS No.: | 458532-96-2 |
---|---|
Name: | 2-Chloro-4-pyridylboronic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H5BClNO2 |
Molecular Weight: | 157.364 |
Synonyms: | Boronicacid, (2-chloro-4-pyridinyl)- (9CI);(2-Chloropyridin-4-yl)boronic acid;2-Chloropyridine-4-boronic acid; |
EINECS: | 628-060-9 |
Density: | 1.41 g/cm3 |
Melting Point: | 155-163 °C |
Boiling Point: | 355.186 °C at 760 mmHg |
Flash Point: | 168.611 °C |
Appearance: | WHITE TO TAN POWDER |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 53.35000 |
LogP: | -0.58520 |
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The 2-Chloropyridine-4-boronic acid is an organic compound with the formula C5H5BClNO2. The IUPAC name of this chemical is (2-chloropyridin-4-yl)boronic acid. With the CAS registry number 458532-96-2, it is also named as Boronic acid, B-(2-chloro-4-pyridinyl)-. The product's categories are Boronicacid; Blocks; BoronicAcids; Pyridines; Boronic Acids; Boronic Acid; Organoborons; Pyridine; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl; Boric Acid Series. Besides, it should be stored in a closed and cool place at temperature of 2 - 8 °C.
Physical properties about 2-Chloropyridine-4-boronic acid are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.574; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.555; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 45.847; (7)ACD/KOC (pH 7.4): 4.022; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 35.914 cm3; (14)Molar Volume: 111.184 cm3; (15)Polarizability: 14.238×10-24cm3; (16)Surface Tension: 56.179 dyne/cm; (17)Density: 1.415 g/cm3; (18)Flash Point: 168.611 °C; (19)Enthalpy of Vaporization: 63.345 kJ/mol; (20)Boiling Point: 355.186 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccnc(c1)Cl)(O)O
(2)InChI: InChI=1/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
(3)InChIKey: WJYRVVDXJMJLTN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
(5)Std. InChIKey: WJYRVVDXJMJLTN-UHFFFAOYSA-N