1-Bromo-4-(bromomethyl)naphthalene

C11H8Br2CAS 79996-99-9299.99 g/mol

Open in Covalent MOL file
BrBr
Alkyl halideAryl halide

Properties

Molecular formula
C11H8Br2
Molar mass
299.99 g/mol
Exact mass
297.8993 Da
logP
4.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
79996-99-9
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)CBr
InChIKey
FHXASJKBBLIBAQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H8Br2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Naphthalene, 1-bromo-4-(bromomethyl)-
  • 1-Bromo-4-bromomethyl naphthaline
  • 1-Bromo-4-bromomethyl-naphthalene
  • 4-Bromo-1-(bromomethyl)naphthale
  • 4-Bromo-1-(bromomethyl)naphthalene

Work with 1-Bromo-4-(bromomethyl)naphthalene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dibromonaphthalene83-53-461 % similar 2-Bromobenzyl bromide3433-80-558 % similar 1-(Bromomethyl)naphthalene3163-27-752 % similar 1,5-Dibromonaphthalene7351-74-850 % similar 5-Bromoacenaphthene2051-98-148 % similar Xylylene dibromide91-13-448 % similar 1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-547 % similar 1-Amino-4-bromonaphthalene2298-07-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-(bromomethyl)naphthalene37763-43-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook