4-Chloro-6-methoxyquinoline

HCID 228348

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4295-04-9
Standard SMILES: COc1ccc2nccc(Cl)c2c1
InChIKey: BEOVBLPXVFICSP-UHFFFAOYSA-N
Molecular formula: C10H8ClNO
Average molar mass: 193.63 g/mol
Monoisotopic mass: 193.02944156

Names & identifiers

Preferred name: 4-Chloro-6-methoxyquinoline
IUPAC: 4-chloro-6-methoxyquinoline
English name: 4-Chloro-6-methoxyquinoline
Molecular formula: C10H8ClNO
Molecular weight: 193.63

Names & synonyms

4-Chloro-6-methoxyquinolineDTXSID50962806RefChem:521626DTXCID501390596843-427-54295-04-94-Chloro-6-methoxy-quinolineQUINOLINE, 4-CHLORO-6-METHOXY-MFCD000240074-Chlor-6-methoxychinolinCS-W006421AC-3131

Show more names

6-Methoxy-4-chloro quinoline4-CHLORO-6-METHOXYQUINOLINE ISO 9001：2015 REACH

SY003956EN300-67691F2179-0005Z431511590NSC21207AM20051178FT-06181346-Methoxy4-chloroquinoline

Database identifiers

CAS: 4295-04-9
PubChem CID: 228348
DTXSID: DTXSID50962806
EC Number: 843-427-5
Nikkaji: J2.289.082D

Properties

Computed structural properties

XLogP: 2.8
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: 79 · 79-79.5 °C
Boiling point: 299.9 · 299.9±20.0 °C(Predicted)
Density: 1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: 3.61 · 3.61±0.16(Predicted)
color: Beige
InChI: 1S/C10H8ClNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey: BEOVBLPXVFICSP-UHFFFAOYSA-N
SMILES: ClC1=CC=NC2=C1C=C(OC)C=C2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2933491090 · 2933491090
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 (33.3%)

Safety data

wgk: WGK 3
hs_code: 2933491090
risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H335-H315
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362