2,6-Dichloropyridine-4-carbaldehyde

HCID 2761024

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Basic information

CAS: 113293-70-2
Standard SMILES: O=Cc1cc(Cl)nc(Cl)c1
InChIKey: MVCMPKYZHKUBCL-UHFFFAOYSA-N
Molecular formula: C6H3Cl2NO
Average molar mass: 176 g/mol
Monoisotopic mass: 174.95916908

Names & identifiers

Preferred name: 2,6-Dichloropyridine-4-carbaldehyde
IUPAC: 2,6-dichloropyridine-4-carbaldehyde
English name: 2,6-Dichloropyridine-4-carboxaldehyde
Molecular formula: C6H3Cl2NO
Molecular weight: 176

Names & synonyms

2,6-dichloropyridine-4-carbaldehydeRefChem:445483674-341-4113293-70-22,6-dichloroisonicotinaldehyde2,6-Dichloropyridine-4-carboxaldehyde2,6-dichloro-4-pyridinecarboxaldehydeMFCD001248162,6-dichloro-4-formyl pyridine2,6-Dichloro-4-pyridinecarboxaldehyde, 95%C714414-Pyridinecarboxaldehyde, 2,6-dichloro-

Show more names

2,6-Dichloro-4-formyl pyeidine6-dichloropyridine-4-carbaldehyde2,6-Dichloropyridin-4-carbaldehyde2,6-Dichloroisonicotinaldehyde 96%2,6-Dichloropyridine-4-carboxaldehyde ,98%

2,6-Dichloro-4-pyridinecarbaldehyde2,6-Dichloro-pyridine-4-SCHEMBL1125509SCHEMBL2447485DTXSID80375485(2,6-dichloro-4-pyridyl)methanalSBB0522222,6-Dichloro-pyridine-4-carbaldehyde

Database identifiers

CAS: 113293-70-2
PubChem CID: 2761024
DTXSID: DTXSID80375485
EC Number: 674-341-4
Nikkaji: J403.465A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 44 · 44-48 °C
Boiling point: 276.7 · 276.7±35.0 °C(Predicted)
Density: 1.488 · 1.488±0.06 g/cm3(Predicted)
Flash point: 110 ℃ · >110℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: crystalline solid
pka: -4.39 · -4.39±0.10(Predicted)
color: Yellow
InChI: InChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
InChIKey: MVCMPKYZHKUBCL-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C=O)=C1
CAS DataBase Reference: 113293 · 113293-70-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36-43
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.