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| CAS No.: | 88139-91-7 |
|---|---|
| Name: | 2-Hydroxymethyl-5-bromopyridine |
| Article Data: | 43 |
| Molecular Structure: | |
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|
|
| Formula: | C6H6BrNO |
| Molecular Weight: | 188.024 |
| Synonyms: | (5-Bromo-2-pyridyl)methanol;(5-Bromopyridin-2-yl)methanol;5-Bromo-2-(hydroxymethyl)pyridine;5-Bromo-2-pyridinemethanol;5-Bromo-2-hydroxymethylpyridine; |
| EINECS: | 476-710-3 |
| Density: | 1.669 g/cm3 |
| Melting Point: | 59-60 °C |
| Boiling Point: | 267.14 °C at 760 mmHg |
| Flash Point: | 115.362 °C |
| Appearance: | light yellow cryst. |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-26-36/37/39-36 |
| PSA: | 33.12000 |
| LogP: | 1.33640 |
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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