Basic information
- CAS
50672-84-9- Standard SMILES
O=Cc1ccc(Br)c2ccccc12- InChIKey
SESASPRCAIMYLA-UHFFFAOYSA-N- Molecular formula
- C11H7BrO
- Average molar mass
- 235.08 g/mol
- Monoisotopic mass
- 233.96802694
Names & identifiers
- Preferred name
- 4-Bromo-1-naphthaldehyde
- IUPAC
- 4-bromonaphthalene-1-carbaldehyde
- English name
- 1-broMo-4-phthaldehyde
- Molecular formula
- C11H7BrO
- Molecular weight
- 235.08
Names & synonyms
4-Bromo-1-naphthaldehyde50672-84-9DTXSID90405106RefChem:290527DTXCID40355960851-153-24-bromonaphthalene-1-carbaldehyde4-Bromo-1-napthaldehyde1-BROMO-4-NAPHTHALDEHYDEMFCD111010261-Naphthalenecarboxaldehyde, 4-bromo-4-bromo-1-naphthalenecarboxaldehyde
Show more names
4-bromo-1-naphaldehyde1-broMo-4-phthaldehyde
SCHEMBL1036576SCHEMBL7207783SCHEMBL299924394-bromo-1-naphthalenecarbaldehydeSESASPRCAIMYLA-UHFFFAOYSA-N4-bromo-naphthalene-1-carbaldehydeACA67284AKOS016010588
Database identifiers
- CAS
50672-84-9- PubChem CID
- 4640413
- DTXSID
DTXSID90405106- EC Number
- 851-153-2
- Nikkaji
- J1.764.461K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 250 ℃ · 250℃
- Boiling point
- 359.4 · 359.4±25.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-1-napthaldehyde is used in the synthesis and antimicrobial activity of chalcones and flavones.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
14 records
Compound notes
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