Related Searches: 2-Bromo-5-methylpyridine, 2-Amino-5-bromo-3-methylpyridine, 2-Bromo-3-methylpyridine, 4-Bromo-2-methylpyridine, 2-bromo-6-methylpyridine, View all

2-Bromo-5-methylpyridine(CAS No. 3510-66-5)

2-Bromo-5-methylpyridine C6H6BrN (cas 3510-66-5) Molecular Structure

3510-66-5 Structure

Identification and Related Records

【Name】
2-Bromo-5-methylpyridine
【Iupac name】
2-bromo-5-methylpyridine
【CAS Registry number】
3510-66-5
【Synonyms】
Pyridine, 2-bromo-5-methyl-
2-bromo-5-methyl-pyridine
2-Bromo-5-picoline
【Molecular Formula】
C6H6BrN (Products with the same molecular formula)
【Molecular Weight】
172.02
【Inchi】
InChI=1/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
【Canonical SMILES】
CC1=CN=C(C=C1)Br
【MOL File】
3510-66-5.mol

Chemical and Physical Properties

【Appearance】
light brown solid
【Density】
1.494g/cm3
【Melting Point】
40-45℃
【Boiling Point】
95-96℃ (12.5 mmHg)
【Refractive Index】
1.553
【Flash Point】
103℃
【Computed Properties】
Molecular Weight:172.02254 [g/mol]
Molecular Formula:C6H6BrN
XLogP3:2.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:170.968362
MonoIsotopic Mass:170.968362
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Formal Charge:0
Complexity:74.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Specification】

The 2-Bromo-5-methylpyridine?with cas registry number of 3510-66-5 is light brown solid. It belongs to the following categories: blocks; Bromides; Pyridines, Pyrimidines, Purines and Pteredines; Aromatics Compounds; Bromopyridines; Halopyridines; Heterocycles; Boronic Acid; Halogenated Heterocycles; Heterocyclic Building Blocks.?Both its systematic name and IUPAC name are the same which is called 2-bromo-5-methylpyridine.

The physical properties about this chemical are:?(1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.2; (6)ACD/BCF (pH 7.4): 19.2; (7)ACD/KOC (pH 5.5): 288.51; (8)ACD/KOC (pH 7.4): 288.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 36.85 cm3; (14)Molar Volume: 115.1 cm3; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.494 g/cm3; (17)Flash Point: 86.1 °C; (18)Enthalpy of Vaporization: 43.66 kJ/mol; (19)Boiling Point: 218.7 °C at 760 mmHg; (20)Vapour Pressure: 0.183 mmHg at 25°C.

Preparation of?2-Bromo-5-methylpyridine: it can be made by?5-methyl-pyridin-2-ylamine by using?reagents HBr, NaNO2 at?temperature?of -20 ℃.

Uses of?2-Bromo-5-methylpyridine: it can?be used to prepare?6-bromo-nicotinic acid by using?reagent aq. KMnO4.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. 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: Cc1ccc(nc1)Br;
(2)InChI: InChI=1/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3;
(3)InChIKey: YWNJQQNBJQUKME-UHFFFAOYAE

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