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6-Bromo-2-methoxynaphthalene-1-carbaldehyde

HCID 22018390
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
247174-18-1
Standard SMILES
COc1ccc2cc(Br)ccc2c1C=O
InChIKey
FZEXYGLVXBZDPE-UHFFFAOYSA-N
Molecular formula
C12H9BrO2
Average molar mass
265.1 g/mol
Monoisotopic mass
263.97859163

Names & identifiers

Preferred name
6-Bromo-2-methoxynaphthalene-1-carbaldehyde
IUPAC
6-bromo-2-methoxynaphthalene-1-carbaldehyde
English name
6-Bromo-2-methoxynaphthalene-1-carbaldehyde
Molecular formula
C12H9BrO2
Molecular weight
265.1

Names & synonyms

247174-18-16-BROMO-2-METHOXY-1-NAPHTHALDEHYDE6-BROMO-2-METHOXYNAPHTHALENE-1-CARBALDEHYDE1-NAPHTHALENECARBOXALDEHYDE, 6-BROMO-2-METHOXY-MFCD092640676-Bromo-2-methoxy-naphthalene-1-carbaldehydeSCHEMBL3008338SCHEMBL30067006DTXSID90621566FZEXYGLVXBZDPE-UHFFFAOYSA-NXH1157AKOS000365288
Show more names
AB50510BS-22117CS-0113133Y13868F606896

Database identifiers

CAS
247174-18-1
PubChem CID
22018390
DTXSID
DTXSID90621566
Nikkaji
J3.160.736A

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
232

Physicochemical properties

Melting point
110 °C · 110 °C
Boiling point
234 · 234-240 °C(Press: 15 Torr)
Density
1.511 · 1.511±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Appearance
White to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1,1-Dichlorodimethyl ether2-Bromo-6-methoxynaphthalene

Related reactions

3 records
New reaction record
HRID 182466 reaction equation
HRID 182466As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1035589 reaction equation
HRID 1035589As productuspto-grants-2013_10
HRID 1035610 reaction equation
HRID 1035610As reactantuspto-grants-2013_10

Compound notes

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