CAS 96568-02-4 2,6-Dichloro-5-fluoro-3-pyridinecarbonyl chloride (HCID 2733666)

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Basic information

CAS: 96568-02-4
Standard SMILES: O=C(Cl)c1cc(F)c(Cl)nc1Cl
InChIKey: AATVXELAYCLVTJ-UHFFFAOYSA-N
Molecular formula: C6HCl3FNO
Average molar mass: 228.4 g/mol
Monoisotopic mass: 226.91077491

Names & identifiers

Preferred name: 2,6-Dichloro-5-fluoro-3-pyridinecarbonyl chloride
IUPAC: 2,6-dichloro-5-fluoropyridine-3-carbonyl chloride
English name: 2,6-Dichloro-5-fluoronicotinoyl chloride
Molecular formula: C6HCl3FNO
Molecular weight: 228.44

Names & synonyms

2,6-Dichloro-5-fluoro-3-pyridinecarbonyl chlorideRefChem:445423624-647-92,6-Dichloro-5-fluoronicotinoyl chloride96568-02-42,6-dichloro-5-fluoropyridine-3-carbonyl chlorideMFCD018632403-Pyridinecarbonylchloride, 2,6-dichloro-5-fluoro-C6HCl3FNONRM82XP2HF2,6-DICHLORO-5-FLUORONICOTINOYLCHLORIDESCHEMBL919984

Show more names

2,6-DICHLOR-5-FLUORNICOTINOYLCHLORID2,6-DICHLORO-5-FLUORO-3-PYRIDINECARBONY&2,6-Dichloro-5-fluoronicotinoyl ChlorideI2,6-dichloro-5-fluoro-3-nicotinoyl chloride2,6-Dichloro-5-fluoronicotinoyl chloride,90%2,6-DICHLORO-5-FLUORO-NICOTINIC ACID CHLORIDE

3-Pyridinecarbonyl chloride, 2,6-dichloro-5-fluoro-SCHEMBL31048928DTXSID40369966AATVXELAYCLVTJ-UHFFFAOYSA-NSBB053639AKOS015891966AT520002,6-dichloro-5-fluoro-nicotinoylchloride

Database identifiers

CAS: 96568-02-4

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 192

Physicochemical properties

Boiling point: 238 · 238-239 °C(lit.)
Density: 1.64 g/mL · 1.640 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D >1.5720(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 0 · 0-6°C
pka: -6 · -6.00±0.10(Predicted)
CAS DataBase Reference: 96568 · 96568-02-4(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.