Quinoline-6-carbonitrile

HCID 592995

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Basic information

CAS: 23395-72-4
Standard SMILES: N#Cc1ccc2ncccc2c1
InChIKey: NIFLNJLWZZABMI-UHFFFAOYSA-N
Molecular formula: C10H6N2
Average molar mass: 154.17 g/mol
Monoisotopic mass: 154.0530982

Names & identifiers

Preferred name: Quinoline-6-carbonitrile
IUPAC: quinoline-6-carbonitrile
English name: quinoline-6-carbonitrile
Molecular formula: C10H6N2
Molecular weight: 154.17

Names & synonyms

quinoline-6-carbonitrile23395-72-4DTXSID60343900RefChem:1097878DTXCID502949776-Cyanoquinoline6-QuinolinecarbonitrileMFCD099995436-Cyano quinoline6-Quinolinecarbonitrile #SCHEMBL506632AKOS005256934

Show more names

Benzaldehyde,3,4-dichloro-5-hydroxy-

FS-2824SB35812CS-0019004EN300-42062Quinolin-6-carbonitrileFT-0647923A878254orb3023533

Database identifiers

CAS: 23395-72-4
PubChem CID: 592995
DTXSID: DTXSID60343900
EC Number: 806-190-9
Nikkaji: J1.410.224H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 203

Physicochemical properties

Melting point: 133 · 133-134℃ (methanol )
Boiling point: 323.7 · 323.7±15.0 °C(Predicted)
Density: 1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.5 · 3.50±0.10(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 318 · H318-H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
Hazard Codes: T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)

Safety data

ridadr: UN 2811 6.1 / PGIII
hs_code: 2933499090
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-39-45
Hazard statements: H318-H301
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310