Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromo-3-(hydroxymethyl)pyridine |
EINECS | N/A |
CAS No. | 131747-54-1 | Density | 1.669 g/cm3 |
PSA | 33.12000 | LogP | 1.33640 |
Solubility | N/A | Melting Point |
75 °C |
Formula | C6H6BrNO | Boiling Point | 307.384 °C at 760 mmHg |
Molecular Weight | 188.024 | Flash Point | 139.701 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2-Bromopyridin-3-yl)methanol; |
Article Data | 34 |
The 2-Bromo-3-(hydroxymethyl)pyridine, with the CAS registry number 131747-54-1, is also known as 3-Pyridinemethanol, 2-bromo-. It belongs to the product categories of Bromopyridines; Halopyridines. This chemical's molecular formula is C6H6BrNO and molecular weight is 188.02. What's more, its systematic name is (2-Bromopyridin-3-yl)methanol.
Physical properties about 2-Bromo-3-(hydroxymethyl)pyridine are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 38.486 cm3; (15)Molar Volume: 112.658 cm3; (16)Polarizability: 15.257×10-24 cm3; (17)Surface Tension: 54.045 dyne/cm; (18)Density: 1.669 g/cm3; (19)Flash Point: 139.701 °C; (20)Enthalpy of Vaporization: 57.86 kJ/mol; (21)Boiling Point: 307.384 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cccnc1Br
(2) InChI: InChI=1/C6H6BrNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
(3) InChIKey: QIQZUABMLGJKJP-UHFFFAOYAV