(+)-3-Bromocamphor

C₁₀H₁₅BrOCAS 10293-06-8231.13 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₁₅BrO
Molar mass: 231.13 g/mol
Exact mass: 230.0306 Da
Melting point: 76 °C
logP: 2.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0
Stereocentres: S, R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation30.5% of notifiers
H319 Causes serious eye irritation30.5% of notifiers
H335 May cause respiratory irritation30.5% of notifiers

Aggregated from 128 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10293-06-8

SMILES

CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br

InChIKey

NJQADTYRAYFBJN-FWWHASMVSA-N

InChI

InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1

Weigh it out

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

Names and synonyms

11 names

Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R,3S,4S)-
2-Bornanone, 3-bromo-, (1R,3S,4S)-(+)-
Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R-endo)-
Camphor, 3α-bromo-, (+)-
(1R,3S,4S)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
endo-(+)-3-Bromo-2-bornanone
(+)-endo-3-Bromocamphor
(1R-Endo)-(+)-3-Bromocamphor
(1R)-endo-3-Bromocamphor
(1R-Endo)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
3-Bromocamphor, (+)-

Work with (+)-3-Bromocamphor

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

[(1S)-Endo]-(-)-3-Bromocamphor64474-54-0Enantiomer 3-Bromocamphor76-29-9Stereo not defined

Similar compounds

3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid24262-38-251 % similar 3-Heptafluorobutyryl-(+)-camphor51800-99-851 % similar Ammonium d-α-bromocamphor-π-sulfonate14575-84-950 % similar Bicyclo[2.2.1]heptane-7-methanesulfonic acid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1R,2R,4S,7S)-55870-50-350 % similar (±)-Camphor21368-68-339 % similar (-)-Camphor464-48-239 % similar (+)-Camphor464-49-339 % similar Camphor76-22-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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