2-Chloro-6-methoxyquinoline

HCID 83647CAS 13676-02-3

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc2nc(Cl)ccc2c1
InChIKey: ZFEJTYQUWRVCFW-UHFFFAOYSA-N
Molecular formula: C10H8ClNO
Average molar mass: 193.63 g/mol
Monoisotopic mass: 193.02944156

Names & identifiers

Preferred name: 2-Chloro-6-methoxyquinoline
IUPAC: 2-chloro-6-methoxyquinoline
English name: 2-CHLORO-6-METHOXY-QUINOLINE
Molecular formula: C10H8ClNO
Molecular weight: 193.63

Names & synonyms

2-Chloro-6-methoxyquinoline13676-02-3QUINOLINE, 2-CHLORO-6-METHOXY-J6R5UCC53BEINECS 237-162-9DTXSID10159912RefChem:86346DTXCID9082403237-162-92-Chloro-6-methoxy-quinolineMFCD00799212UNII-J6R5UCC53B

Show more names

6-METHOXY-2-CHLORO-QUINOLINE2-Chloro-6-methoxy-1-azanaphthalene

SCHEMBL483893SCHEMBL3755460STK008155AKOS005067594AB07225CS-W008577FS-33482-Chloro-6-methoxyquinoline, AldrichCPR

Database identifiers

CAS: 13676-02-3
PubChem CID: 83647
DTXSID: DTXSID10159912
UNII: J6R5UCC53B
EC Number: 237-162-9
Nikkaji: J277.979J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 106 · 106-107℃
Boiling point: 310.5 · 310.5±22.0 °C(Predicted)
Density: 1.267 · 1.267
storage temp.: Inert atmosphere,Room Temperature
pka: 0.37 · 0.37±0.43(Predicted)
form: solid
Appearance: White to yellow Solid
InChI: 1S/C10H8ClNO/c1-13-8-3-4-9-7(6-8)2-5-10(11)12-9/h2-6H,1H3
InChIKey: ZFEJTYQUWRVCFW-UHFFFAOYSA-N
SMILES: COc1ccc2nc(Cl)ccc2c1
FDA UNII: 6 R5UCC53B · J6R5UCC53B
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
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: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 2933499090 · 2933499090
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 (100%): 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 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.