CAS 40273-47-0 3-Fluoroisonicotinaldehyde (HCID 2763003)

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Basic information

CAS: 40273-47-0
Standard SMILES: O=Cc1ccncc1F
InChIKey: KLKQXQXSZCNWLZ-UHFFFAOYSA-N
Molecular formula: C6H4FNO
Average molar mass: 125.1 g/mol
Monoisotopic mass: 125.02769197

Names & identifiers

Preferred name: 3-Fluoroisonicotinaldehyde
IUPAC: 3-fluoropyridine-4-carbaldehyde
English name: 3-FLUOROISONICOTINALDEHYDE
Molecular formula: C6H4FNO
Molecular weight: 125.1

Names & synonyms

3-Fluoroisonicotinaldehyde40273-47-0DTXSID80376654RefChem:279530DTXCID40327682627-608-43-fluoropyridine-4-carbaldehyde3-fluoropyridine-4-carboxaldehyde3-FLUORO-4-PYRIDINECARBALDEHYDE3-Fluoro-4-pyridinecarboxaldehyde3-fluoro-4-formylpyridineMFCD06410686

Show more names

CML-025uoroisonicotinaL3-FLUOROISONICOTINAL3-Fluoropyridin-4-ylcarboxaldehyde

C6H4FNO4-Pyridinecarboxaldehyde, 3-fluoro-3-fluoro-pyridine-4-carbaldehydeSCHEMBL115514SCHEMBL5177515SCHEMBL29640748KLKQXQXSZCNWLZ-UHFFFAOYSA-N3-fluoro-pyridine-4-carboxaldehyde

Database identifiers

CAS: 40273-47-0
PubChem CID: 2763003
DTXSID: DTXSID80376654
EC Number: 627-608-4

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 107

Physicochemical properties

Boiling point: 70 °C25 · 70 °C25 mm Hg(lit.)
Density: 1.255 g/mL · 1.2550 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5170(lit.)
Flash point: 153 °F · 153 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 0.84 · 0.84±0.18(Predicted)
Appearance: Light yellow to yellow Liquid
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38-43

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.