CAS 3430-31-7 3-Bromo-2,6-dimethylpyridine (HCID 603971)

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Basic information

CAS: 3430-31-7
Standard SMILES: Cc1ccc(Br)c(C)n1
InChIKey: TUJVGHCSNXCAFE-UHFFFAOYSA-N
Molecular formula: C7H8BrN
Average molar mass: 186.05 g/mol
Monoisotopic mass: 184.98401136

Names & identifiers

Preferred name: 3-Bromo-2,6-dimethylpyridine
IUPAC: 3-bromo-2,6-dimethylpyridine
English name: 3-Bromo-2,6-dimethylpyridine
Molecular formula: C7H8BrN
Molecular weight: 186.05

Names & synonyms

3-Bromo-2,6-dimethylpyridine3430-31-7DTXSID80345365RefChem:277261DTXCID70296438685-732-42,6-Dimethyl-3-bromopyridine3-Bromo-2,6-dimethyl-pyridineMFCD00235164Pyridine, 3-bromo-2,6-dimethyl-3-BROMO-2,6-LUTIDINESCHEMBL312628

Show more names

6-dimethylpyridine3-Bromo-2,6-dimethyl3-Bromo-6-methyl-2-picolin3-Bromo-6-methyl-2-picoline3-Bromo-2,6-dimethylpyridine 98%3-Bromo-2,6-dimethylpyridine ,97%2,6-Dimethylpyridine-3-Bromopyridine

SCHEMBL578026TUJVGHCSNXCAFE-UHFFFAOYSA-NSBB0903503-Bromo-2,6-dimethylpyridine, 97%AKOS005255989AB05311AC-6260CS-W002566

Database identifiers

CAS: 3430-31-7
PubChem CID: 603971
DTXSID: DTXSID80345365
EC Number: 685-732-4
Nikkaji: J2.639.373F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Boiling point: 56 · 56-58°C 2mm
Density: 1.431 g/mL · 1.431 g/mL at 25 °C
refractive index: 20 · n20/D1.552
Flash point: 86 ℃ · 86℃
storage temp.: Inert atmosphere,Room Temperature
form: liquid
pka: 4.32 · 4.32±0.10(Predicted)
color: Clear, colourless
InChI: InChI=1S/C7H8BrN/c1-5-3-4-7(8)6(2)9-5/h3-4H,1-2H3
InChIKey: TUJVGHCSNXCAFE-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC=C1Br
CAS DataBase Reference: 3430 · 3430-31-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
ridadr: UN1760
hs_code: 2933399990
risk_code: 36/37/38-41-37/38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemistry & industry

Applications

Uses2,6-Dimethyl-3-bromopyridine is an important organic synthesis intermediate with wide applications in pharmaceuticals and pesticides. For example, it can be used to synthesize a new generation of quinolone antibacterial drug—balofloxacin.