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2-Hydroxymethyl-5-bromopyridine

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Name

2-Hydroxymethyl-5-bromopyridine

EINECS 476-710-3
CAS No. 88139-91-7 Density 1.669 g/cm3
PSA 33.12000 LogP 1.33640
Solubility N/A Melting Point 59-60 °C
Formula C6H6BrNO Boiling Point 267.14 °C at 760 mmHg
Molecular Weight 188.024 Flash Point 115.362 °C
Transport Information N/A Appearance light yellow cryst.
Safety 22-26-36/37/39-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 88139-91-7 (2-Hydroxymethyl-5-bromopyridine) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

(5-Bromo-2-pyridyl)methanol;(5-Bromopyridin-2-yl)methanol;5-Bromo-2-(hydroxymethyl)pyridine;5-Bromo-2-pyridinemethanol;5-Bromo-2-hydroxymethylpyridine;

Article Data 43

2-Hydroxymethyl-5-bromopyridine Specification

The IUPAC name of 5-Bromo-2-hydroxymethylpyridine is (5-bromopyridin-2-yl)methanol. With the CAS registry number 88139-91-7, it is also named as 2-Hydroxymethyl-5-bromopyridine. The product's categories are Blocks; Bromides; Pyridines; Pyridine; Building Blocks. Besides, it is light yellow cryst. In addition, its molecular formula is C6H6BrNO and molecular weight is 188.02.

The other characteristics of 5-Bromo-2-hydroxymethylpyridine can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.232; (4)ACD/LogD (pH 7.4): 1.233; (5)ACD/BCF (pH 5.5): 5.088; (6)ACD/BCF (pH 7.4): 5.093; (7)ACD/KOC (pH 5.5): 111.49; (8)ACD/KOC (pH 7.4): 111.597; (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: 15.257×10-24cm3; (17)Surface Tension: 54.045 dyne/cm; (18)Density: 1.669 g/cm3; (19)Flash Point: 115.362 °C; (20)Melting point: 59-60 °C; (21)Enthalpy of Vaporization: 53.365 kJ/mol; (22)Boiling Point: 267.14 °C at 760 mmHg; (23)Vapour Pressure: 0.004 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ncc1Br)CO
(2)InChI: InChI=1/C6H6BrNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2
(3)InChIKey: RUCZFWMEACWFER-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H6BrNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2
(5)Std. InChIKey: RUCZFWMEACWFER-UHFFFAOYSA-N

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