2-Chloro-3-methoxypyridine

HCID 104252

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Basic information

CAS: 52605-96-6
Standard SMILES: COc1cccnc1Cl
InChIKey: CCVNZKGBNUPYPG-UHFFFAOYSA-N
Molecular formula: C6H6ClNO
Average molar mass: 143.57 g/mol
Monoisotopic mass: 143.01379149

Names & identifiers

Preferred name: 2-Chloro-3-methoxypyridine
IUPAC: 2-chloro-3-methoxypyridine
English name: 2-Chloro-3-methoxypyridine
Molecular formula: C6H6ClNO
Molecular weight: 143.57

Names & synonyms

2-Chloro-3-methoxypyridine52605-96-6Pyridine, 2-chloro-3-methoxy-EINECS 258-039-6DTXSID70200590RefChem:86191DTXCID00123081258-039-6CCVNZKGBNUPYPG-UHFFFAOYSA-NMFCD034260222-chloro-3-methoxy-pyridine2chloro-3-methoxylpyridine

Show more names

2-Chloro-3-methoxypyridine ,98%2-chloro-3-methoxypyridine(SALTDATA: FREE)2-Chloro-3-methoxypyridine ISO 9001：2015 REACH

SCHEMBL1445568CHEMBL4644642STR05101AKOS005257338CS-W003068AB14749AC-1390AM62383

Database identifiers

CAS: 52605-96-6
PubChem CID: 104252
DTXSID: DTXSID70200590
ChEMBL: CHEMBL4644642
EC Number: 258-039-6
Nikkaji: J295.745K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 89.1

Physicochemical properties

Melting point: 90 · 90-92°C
Boiling point: 210.6 · 210.6±20.0 °C(Predicted)
Density: 1.21 · 1.210±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -0.51 · -0.51±0.10(Predicted)
form: crystalline solid
color: Light orange
Water Solubility: Insoluble in water.
BRN: 115568 · 115568
InChI: InChI=1S/C6H6ClNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey: CCVNZKGBNUPYPG-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC=C1OC
CAS DataBase Reference: 52605 · 52605-96-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H302
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-37
HS Code: 29333990 · 29333990

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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.