5-Bromo-2-chloro-4-methylpyridine

HCID 2734427CAS 778611-64-6

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(Cl)ncc1Br
InChIKey: ISESOOISZHSENQ-UHFFFAOYSA-N
Molecular formula: C6H5BrClN
Average molar mass: 206.47 g/mol
Monoisotopic mass: 204.92938894

Names & identifiers

Preferred name: 5-Bromo-2-chloro-4-methylpyridine
IUPAC: 5-bromo-2-chloro-4-methylpyridine
English name: 5-Bromo-2-chloro-4-picoline
Molecular formula: C6H5BrClN
Molecular weight: 206.47

Names & synonyms

5-BROMO-2-CHLORO-4-METHYLPYRIDINE778611-64-6DTXSID50370306RefChem:301613DTXCID40321342689-064-45-Bromo-2-chloro-4-picolineMFCD034276635-bromo-2-chloro-4-methyl-pyridinePyridine, 5-bromo-2-chloro-4-methyl-2-CHLORO-5-BROMO-4-PICOLINE2-Chloro-5-bromo-4-methylpyridine

Show more names

2-Bromo-7-methylpyridine5-BROMO-2-CHLORO-4-PICOLIN2-CHLORO-4-METHYL-5-BROMOPYRIDINE5-Bromo-2-chloro-4-picoline, 98+%2-Cholor-5-bromo-4-methyl pyridine5-Bromo-2-chloro-4-methylpyridine>

orb2940270SCHEMBL1007219ISESOOISZHSENQ-UHFFFAOYSA-NTYD-00308AKOS005145679AB15095AC-7004CS-W015300

Database identifiers

CAS: 778611-64-6
PubChem CID: 2734427
DTXSID: DTXSID50370306
EC Number: 689-064-4

Properties

Computed structural properties

XLogP: 2.9
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: 99.1

Physicochemical properties

Melting point: 25 · 25-30 °C
Boiling point: 239 ℃ · 239℃
Density: 1.624 · 1.624
refractive index: 1.54 · 1.5400 (estimate)
Flash point: 99 ℃ · 99℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to lump to clear liquid
pka: -1.45 · -1.45±0.10(Predicted)
color: White or Colorless to Light yellow
InChI: InChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKey: ISESOOISZHSENQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Br)C(C)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-22-37/38
Safety Statements: 37 · 37/39-26-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 4 (97.6%)

Safety data

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-41-22-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 37/39-26-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Applications

Uses5-Bromo-2-chloro-4-methylpyridine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.