CAS 36926-82-6 2-Oxo-1,2-dihydroquinoline-3-carbonitrile (HCID 2764577)

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Basic information

CAS: 36926-82-6
Standard SMILES: N#Cc1cc2ccccc2[nH]c1=O
InChIKey: WNRMLIGSXULUPQ-UHFFFAOYSA-N
Molecular formula: C10H6N2O
Average molar mass: 170.17 g/mol
Monoisotopic mass: 170.04801282

Names & identifiers

Preferred name: 2-Oxo-1,2-dihydroquinoline-3-carbonitrile
IUPAC: 2-oxo-1H-quinoline-3-carbonitrile
English name: 2-Oxo-1,2-dihydro-3-quinolinecarbonitrile
Molecular formula: C10H6N2O
Molecular weight: 170.17

Names & synonyms

36926-82-62-oxo-1,2-dihydroquinoline-3-carbonitrileDTXSID60377508RefChem:477630DTXCID20328536824-395-12-oxo-1H-quinoline-3-carbonitrile2-OXO-1,2-DIHYDRO-3-QUINOLINECARBONITRILE3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-MFCD021759362-oxohydroquinoline-3-carbonitrile3-cyano-2(1H)-quinolinone

Show more names

3-CYANOQUINOLIN-2-ONE2-Oxo-1,2-dihydro-3-quinolinecarbonirile1,2-Dihydro-2-oxoquinoline-3-carbonitrile3-Quinolinecarbonitrile,1,2-dihydro-2-oxo-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBONITRILE

3-cyanoquinolin-2(1h)-one3-cyano-2-[1H]-quinoloneSCHEMBL1903750SCHEMBL6071693SCHEMBL29890500WNRMLIGSXULUPQ-UHFFFAOYSA-NLBA92682SBB068681

Database identifiers

CAS: 36926-82-6
PubChem CID: 2764577
DTXSID: DTXSID60377508
EC Number: 824-395-1

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 310

Physicochemical properties

Melting point: 314 · 314-318
Boiling point: 402.8 · 402.8±45.0 °C(Predicted)
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.73 · 9.73±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280-P301+P312-P302+P352-P304+P340-P361+P364
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 1 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.