chempirical

1-Bromonaphthalene

C10H7BrCAS 90-11-9207.07 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C10H7Br
Molar mass
207.07 g/mol
Exact mass
205.9731 Da
Density
1.4834 g/mL (at 20 °C)
Melting point
−1.8 °C
Boiling point
281 °C
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
90-11-9
SMILES
Brc1cccc2ccccc12
InChIKey
DLKQHBOKULLWDQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

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Names and synonyms

6 names
  • Naphthalene, 1-bromo-
  • α-Bromonaphthalene
  • α-Naphthyl bromide
  • 1-Naphthyl bromide
  • NSC 6551
  • Naphthalen-1-yl bromide

Reactions

Work with 1-Bromonaphthalene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dibromonaphthalene83-53-463 % similar 4-Bromoisoquinoline1532-97-456 % similar Phenanthrene85-01-853 % similar 2,3-Dibromonaphthalene13214-70-552 % similar 1,1'-Binaphthyl604-53-552 % similar 1,2-Dibromobenzene583-53-950 % similar 4-Bromopyrene1732-26-948 % similar 6,12-Dibromochrysene131222-99-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromonaphthalene580-13-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia