4-Chloro-6-fluoroquinoline

HCID 2736586

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 391-77-5
Standard SMILES: Fc1ccc2nccc(Cl)c2c1
InChIKey: CKTQPWIDUQGUGG-UHFFFAOYSA-N
Molecular formula: C9H5ClFN
Average molar mass: 181.59 g/mol
Monoisotopic mass: 181.00945506

Names & identifiers

Preferred name: 4-Chloro-6-fluoroquinoline
IUPAC: 4-chloro-6-fluoroquinoline
English name: 4-Chloro-6-fluoroquinoline
Molecular formula: C9H5ClFN
Molecular weight: 181.59

Names & synonyms

4-Chloro-6-fluoroquinoline391-77-5DTXSID60371460RefChem:291856DTXCID80322494670-383-2MFCD00278783Quinoline, 4-chloro-6-fluoro-6-fluoro-4-chloroquinolineSCHEMBL265444AKOS0026761364-chloro-6-fluoro-quinoline

Show more names

EOS-62017BUTTPARK 20\09-074-Chloro-6-fluoroquinoline >4-CHLORO-6-FLUOROQUINOLINE(WX900022)4-Chloro-6-fluoroquinoline ISO 9001：2015 REACH

EN300-676824-chloranyl-6-fluoranyl-quinoline3-Isopropylisoxazole-5-4-Chloro-6-fluoroquinolinSCHEMBL7493824SCHEMBL296916954-Chloro-6-fluoroquinoline, 97%SBB079127

Database identifiers

CAS: 391-77-5
PubChem CID: 2736586
DTXSID: DTXSID60371460
EC Number: 670-383-2

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 75 to · 75.0 to 79.0 °C
Boiling point: 259.9 · 259.9±20.0 °C(Predicted)
Density: 1.366 · 1.366±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.9 · 2.90±0.16(Predicted)
form: powder to crystal
color: White to Light yellow
InChI: InChI=1S/C9H5ClFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
InChIKey: CKTQPWIDUQGUGG-UHFFFAOYSA-N
SMILES: N1C2C(=CC(F)=CC=2)C(Cl)=CC=1
CAS DataBase Reference: 391 · 391-77-5(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-41-37/38
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933499090 · 2933499090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.9%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.