CAS 41960-47-8 5-Iodopyridine-2-carbonitrile (HCID 37818397)

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Basic information

CAS: 41960-47-8
Standard SMILES: N#Cc1ccc(I)cn1
InChIKey: JMFSIRGELWNSRE-UHFFFAOYSA-N
Molecular formula: C6H3IN2
Average molar mass: 230.01 g/mol
Monoisotopic mass: 229.9341

Names & identifiers

Preferred name: 5-Iodopyridine-2-carbonitrile
IUPAC: 5-iodopyridine-2-carbonitrile
English name: 2-Cyano-5-iodopyridine
Molecular formula: C6H3IN2
Molecular weight: 230.01

Names & synonyms

41960-47-85-iodopyridine-2-carbonitrile5-IODO-2-PYRIDINECARBONITRILEDTXSID90653266RefChem:536388DTXCID90604016850-128-32-Cyano-5-iodopyridineMFCD10699132SCHEMBL23926385-iodo-pyridine-2-carbonitrileAKOS015853694

Show more names

2-Pyridinecarbonitrile, 5-iodo-

MB08761BP-20246DS-14237SY1221915-IodopicolinonitrileFT-0685437DB-070241F217614

Database identifiers

CAS: 41960-47-8
PubChem CID: 37818397
DTXSID: DTXSID90653266
EC Number: 850-128-3

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 137

Physicochemical properties

Boiling point: 314.3 · 314.3±27.0 °C(Predicted)
Density: 2.04 · 2.04±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Solid
pka: -2.34 · -2.34±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 310 · P310-P261-P280
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.