5-Chloroquinoline

HCID 69458

Notes Reactions

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Basic information

CAS: 635-27-8
Standard SMILES: Clc1cccc2ncccc12
InChIKey: HJSRGOVAIOPERP-UHFFFAOYSA-N
Molecular formula: C9H6ClN
Average molar mass: 163.6 g/mol
Monoisotopic mass: 163.0188769

Names & identifiers

Preferred name: 5-Chloroquinoline
IUPAC: 5-chloroquinoline
English name: 5-Chloroquinoline
Molecular formula: C9H6ClN
Molecular weight: 163.6

Names & synonyms

5-Chloroquinoline635-27-8Quinoline, 5-chloro-CCRIS 3980DTXSID20212901RefChem:102400DTXCID10135392626-435-1HJSRGOVAIOPERP-UHFFFAOYSA-NMFCD002394135-Chloro-quinolineAKOS009156634

Show more names

5-chloroquiboline5-Chloroquinoline >5-Chloroquinoline hydrochloride5-CHLOROQUINOLINE ISO 9001：2015 REACH

CS-W0025815-Chloroquinoline, >=98.0% (GC)FS-3377SB67516SY025840C2997EN300-33415BCP32571

Database identifiers

CAS: 635-27-8
PubChem CID: 69458
DTXSID: DTXSID20212901
EC Number: 626-435-1
Nikkaji: J95.374A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 28 · 28-32 °C
Boiling point: 263 °C · 263°C(lit.)
Density: 1.2108 · 1.2108 (rough estimate)
refractive index: 1.611 · 1.6110 (estimate)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform, Ethyl Acetate, Methanol
form: Solid
pka: 3.88 · 3.88±0.12(Predicted)
color: Off-White to Yellow
λmax: 317 nm · 317nm(EtOH aq.)(lit.)
BRN: 114722 · 114722
InChI: InChI=1S/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKey: HJSRGOVAIOPERP-UHFFFAOYSA-N
SMILES: N1C2C(=C(Cl)C=CC=2)C=CC=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.