CAS 154105-64-3 4-Bromopyridine-3-carbaldehyde (HCID 11116740)

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Basic information

CAS: 154105-64-3
Standard SMILES: O=Cc1cnccc1Br
InChIKey: WKYVGBPCXOPWEA-UHFFFAOYSA-N
Molecular formula: C6H4BrNO
Average molar mass: 186.01 g/mol
Monoisotopic mass: 184.94762585

Names & identifiers

Preferred name: 4-Bromopyridine-3-carbaldehyde
IUPAC: 4-bromopyridine-3-carbaldehyde
English name: 4-Bromopyridine-3-carboxaldehyde
Molecular formula: C6H4BrNO
Molecular weight: 186.01

Names & synonyms

4-bromopyridine-3-carbaldehydeRefChem:520560862-200-14-Bromonicotinaldehyde154105-64-34-Bromo-3-formylpyridine4-BROMOPYRIDINE-3-CARBOXALDEHYDE3-Pyridinecarboxaldehyde, 4-bromo-3-Pyridinecarboxaldehyde,4-bromo-MFCD06657803SCHEMBL567215SCHEMBL30431215

Show more names

4-Bromonicitinaldehyde4-Bromopyridine-3-carboxaldehyde ISO 9001：2015 REACH

4-Bromo-pyridine-3-carbaldehydeDTXSID50455763WKYVGBPCXOPWEA-UHFFFAOYSA-NSBB065493AKOS005258758AB25683CS-W0045364-BROMO-3-PYRIDINECARBOXALDEHYDE

Database identifiers

CAS: 154105-64-3
PubChem CID: 11116740
DTXSID: DTXSID50455763
EC Number: 862-200-1

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 107

Physicochemical properties

Melting point: 49 · 49-50°C
Boiling point: 263.3 · 263.3±20.0 °C(Predicted)
Density: 1.683 · 1.683±0.06 g/cm3(Predicted)
pka: 2.19 · 2.19±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.