Quinoline-2-carbonitrile

HCID 74031CAS 1436-43-7

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

Standard SMILES: N#Cc1ccc2ccccc2n1
InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N
Molecular formula: C10H6N2
Average molar mass: 154.172 g/mol
Monoisotopic mass: 154.05309819

Names & identifiers

Preferred name: Quinoline-2-carbonitrile
IUPAC: Quinoline-2-carbonitrile
English name: Quinoline-2-carbonitrile
Molecular formula: C10H6N2
Molecular weight: 154.17

Names & synonyms

2-QUINOLINECARBONITRILEQuinaldonitrile2-CyanoquinolineQuinolinecarbonitrilequinolin-2-carbonitrileQuinoline-2-CarbinitrileQuinoline-2-carbonitrileQuinoline-2-carbonitrile 97%2-Quinolinecarbonitrile ,97%QUINOLINE-2-CARBONITRILE ISO 9001：2015 REACH

Database identifiers

CAS: 1436-43-7、64850-00-6
PubChem CID: 74031
DTXSID: DTXSID00162475
EC Number: 215-865-1
Nikkaji: J45.083I

Properties

Physicochemical properties

Melting point: 93 · 93-95 °C (lit.)
Boiling point: 160 °C · 160°C 23mm
Density: 1.21 · 1.21
refractive index: 1.482 · 1.4820 (estimate)
Flash point: 160 °C/23mm · 160°C/23mm
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: -0.56 · -0.56±0.40(Predicted)
color: White to Orange to Green
Water Solubility: Insoluble in water.
BRN: 115213 · 115213
InChI: 1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H
InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N
SMILES: N#Cc1ccc2ccccc2n1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2933499090 · 2933499090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 3439
hs_code: 2933499090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesQuinoline-2-carbonitrile is used to produce quinoline-2-carboxylic acid amide. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

General DescriptionMechanism of the photoinduced substitution reaction of 2-quinolinecarbonitrile in alcohols or ethers has been reported. Photoinitiated dimerization of 2-quinolinecarbonitrile in HCl-acidified 2-propanol/water has been investigated at 77K and 331K. Benzophenone-sensitization of 2-quinolinecarbonitrile has been reported to yield triazapentaphene.