CAS 1227573-02-5 3-Bromo-5-fluoropyridine-4-carboxaldehyde (HCID 53429192)

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Basic information

CAS: 1227573-02-5
Standard SMILES: O=Cc1c(F)cncc1Br
InChIKey: ZGYWTNJGTMRSDK-UHFFFAOYSA-N
Molecular formula: C6H3BrFNO
Average molar mass: 204 g/mol
Monoisotopic mass: 202.9382

Names & identifiers

Preferred name: 3-Bromo-5-fluoropyridine-4-carboxaldehyde
IUPAC: 3-bromo-5-fluoropyridine-4-carbaldehyde
English name: 3-bromo-5-fluoroisonicotinaldehyde
Molecular formula: C6H3BrFNO
Molecular weight: 204

Names & synonyms

3-Bromo-5-fluoropyridine-4-carboxaldehydeRefChem:498915849-553-71227573-02-53-BROMO-5-FLUOROISONICOTINALDEHYDE3-bromo-5-fluoropyridine-4-carbaldehyde3-Bromo-5-fluoro-pyridine-4-carbaldehydeMFCD166065123-Bromo-5-fluoro-pyridine-4-carboxaldehyde4-Pyridinecarboxaldehyde, 3-bromo-5-fluoro-SCHEMBL782488SCHEMBL30702047

Show more names

DTXSID50700088ZGYWTNJGTMRSDK-UHFFFAOYSA-NCZB57302AKOS016000809DS-5915SB320273-Brom-5-fluoro-pyridine-4-carbaldehydeAC-33422

Database identifiers

CAS: 1227573-02-5
PubChem CID: 53429192
DTXSID: DTXSID50700088
EC Number: 849-553-7

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 227.5 · 227.5±35.0 °C(Predicted)
Density: 1.778 · 1.778±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.54 · -1.54±0.28(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.