CAS 19235-89-3 4-Chloro-2-pyridinecarbonitrile (HCID 693342)

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Basic information

CAS: 19235-89-3
Standard SMILES: N#Cc1cc(Cl)ccn1
InChIKey: DYEZRXLVZMZHQT-UHFFFAOYSA-N
Molecular formula: C6H3ClN2
Average molar mass: 138.55 g/mol
Monoisotopic mass: 137.9984758

Names & identifiers

Preferred name: 4-Chloro-2-pyridinecarbonitrile
IUPAC: 4-chloropyridine-2-carbonitrile
English name: 4-Chloro-pyridine-2-carbonitrile
Molecular formula: C6H3ClN2
Molecular weight: 138.55

Names & synonyms

4-Chloro-2-cyanopyridine4-Chloro-2-pyridinecarbonitrileRefChem:521168606-272-219235-89-34-chloropyridine-2-carbonitrile4-Chloropicolinonitrile4-Chloro-pyridine-2-carbonitrile2-Cyano-4-chloropyridine2-PYRIDINECARBONITRILE, 4-CHLORO-MFCD060098334-Chloro-2-cyano-pyridine

Show more names

IFLAB-BB F3099-72264-Chlorocyanopyridine1-chloropicolinonitrile4-chloropyridine nitrile4-Chloro-2-cyanopyridine >4-CHLORO-2-PYRIDINECARBONITRI&

2-cyano-4-pyridyl chlorideSCHEMBL546523SCHEMBL4917154SCHEMBL293634234-Chloro-2-pyridine carbonitrileDTXSID60351222CL0191SBB055696

Database identifiers

CAS: 19235-89-3
PubChem CID: 693342
DTXSID: DTXSID60351222
EC Number: 606-272-2
Nikkaji: J1.128.808A

Properties

Computed structural properties

XLogP: 1.5
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

Melting point: 81 · 81-85 °C
Boiling point: 231.6 · 231.6±20.0 °C(Predicted)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: -2.74 · -2.74±0.10(Predicted)
color: White to Yellow to Orange
InChI: InChI=1S/C6H3ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey: DYEZRXLVZMZHQT-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC(Cl)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H301-H318
Precautionary statements: 264 · P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P280-P301+P310-P305+P351+P338

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS07
hazard_code: Xn
safety_code: 26-39
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H315-H319-H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P280-P301+P310-P305+P351+P338