2,6-Dichloroisonicotinonitrile

HCID 735906

Notes Reactions

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Basic information

CAS: 32710-65-9
Standard SMILES: N#Cc1cc(Cl)nc(Cl)c1
InChIKey: BTUKLHWINORBTN-UHFFFAOYSA-N
Molecular formula: C6H2Cl2N2
Average molar mass: 173 g/mol
Monoisotopic mass: 171.95950342

Names & identifiers

Preferred name: 2,6-Dichloroisonicotinonitrile
IUPAC: 2,6-dichloropyridine-4-carbonitrile
English name: 2,6-Dichloroisonicotinonitrile
Molecular formula: C6H2Cl2N2
Molecular weight: 173

Names & synonyms

2,6-dichloroisonicotinonitrile32710-65-9DTXSID80352877RefChem:248297DTXCID40303941672-068-52,6-dichloropyridine-4-carbonitrile4-Cyano-2,6-dichloropyridine2,6-dichloro-4-cyanopyridine4-pyridinecarbonitrile, 2,6-dichloro-2,6-dichloro-4-pyridinecarbonitrileMFCD00173784

Show more names

2,6-DICHLORO-4-CYANO-PYRIDINE2,6-DICHLOROISONICOTINONNITRILE4-PYRIDINECARBONITRILE,2,6-DICHLORO2,6-Dichloroisonicotinonitrile(WX636167)2,?6-?Dichloropyridine-?4-?carbonitrile 98%2,6-Dichloroisonicotinonitrile ISO 9001：2015 REACH

UD8X86WF78Isonicotinonitrile, 2,6-dichloro-UNII-UD8X86WF78SCHEMBL9019152,6-dichloro-isonicotinonitrileBTUKLHWINORBTN-UHFFFAOYSA-NCL0023SBB055718

Database identifiers

CAS: 32710-65-9
PubChem CID: 735906
DTXSID: DTXSID80352877
UNII: UD8X86WF78
EC Number: 672-068-5
Nikkaji: J88.819B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 152

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 239.4 · 239.4±35.0 °C(Predicted)
Density: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -4.76 · -4.76±0.10(Predicted)
Appearance: White to light yellow Solid
InChI: InChI=1S/C6H2Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H
InChIKey: BTUKLHWINORBTN-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C#N)=C1
CAS DataBase Reference: 32710 · 32710-65-9(CAS DataBase Reference)
FDA UNII: 8 X86WF78 · UD8X86WF78
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 26 · 26-36/37/39
RIDADR: 3439 · 3439
Hazard Note: Irritant
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 3439
hs_code: 2933399990
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,6-Dichloroisonicotinonitrile is a pyridine compound with diverse chemical reactivity. It is mainly used as an organic synthesis intermediate and a synthetic raw material for pesticide molecules. It can be used in the preparation of pyridine organic ligands and pesticide molecules.