CAS 3510-66-5 2-Bromo-5-methylpyridine (HCID 564216)

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Basic information

CAS: 3510-66-5
Standard SMILES: Cc1ccc(Br)nc1
InChIKey: YWNJQQNBJQUKME-UHFFFAOYSA-N
Molecular formula: C6H6BrN
Average molar mass: 172.02 g/mol
Monoisotopic mass: 170.96836129

Names & identifiers

Preferred name: 2-Bromo-5-methylpyridine
IUPAC: 2-bromo-5-methylpyridine
English name: 2-Bromo-5-methylpyridine
Molecular formula: C6H6BrN
Molecular weight: 172.02

Names & synonyms

2-Bromo-5-methylpyridine3510-66-5Pyridine, 2-bromo-5-methyl-DTXSID50188600RefChem:85781DTXCID70111091609-062-9InChI=1/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1HYWNJQQNBJQUKME-UHFFFAOYSA-N2-Bromo-5-picoline6-Bromo-3-picoline2-bromo-5-methyl-pyridine

Show more names

6-Bromo-β-picolineCarvone Impurity 62-Bromo5MythylPyridine2-bormo-5-methylpyridine5-Methyl-2-broMopyridine2-BROMO-5-METHYLPYRIDINE 98%

MFCD002095532-Bromo-5-Methyl Pyridine2-bromo-5-methylpyridinCS-W007353HY-W007353FG-0495Z415645054pyridine, 2-bromo-5-methyl

Database identifiers

CAS: 3510-66-5
PubChem CID: 564216
DTXSID: DTXSID50188600
EC Number: 609-062-9
Nikkaji: J236.669J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Physicochemical properties

Melting point: 41 · 41-43 °C (lit.)
Boiling point: 95 · 95-96 °C/12.5 mmHg (lit.)
Density: 1.4964 · 1.4964 (rough estimate)
refractive index: 1.568 · 1.5680 (estimate)
Flash point: 218 °F · 218 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Dimethyl Sulfoxide, Methanol,
form: Low Melting Crystalline Solid or Crystals
pka: 1.08 · 1.08±0.10(Predicted)
color: White to light yellow or pale brown
BRN: 107323 · 107323
InChI: InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey: YWNJQQNBJQUKME-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(C)C=C1
CAS DataBase Reference: 3510 · 3510-66-5(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

CSL Reaction Information · 6 items

CSL00026

2-BROMO-5-METHYLPYRIDINE + POTASSIUM PERMANGANATE

Immiscible reagents mixing at 80oC caused a violent reaction

Gas Under Pressure,Sensitizer

HeteroAryl Methyl

M (up to 100g)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335

Chemistry & industry

Applications

Uses2-Bromo-5-methylpyridine is used for preparation of [[(triazolylmethyl)pyridyl]phenyl]tetrazoles and related compounds as cardiovascular agents.

Uses2-Bromo-5-methylpyridine has been used as starting reagent for the synthesis of:5,5′-dimethyl-2,2′-bipyridine5-methyl-2,2′:6′,2″-terpyridine5-bromo-5″-methyl-2,2′:6′,2″-terpyridine

Preparation methods

PreparationUsing 5-methylpyridin-2-amine as the raw material, hydrobromic acid and sodium nitrite were reacted at -20°C to obtain 2-Bromo-5-methylpyridine.