2-Bromo-1-indanol

C₉H₉BrOCAS 5400-80-6213.07 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₉BrO
Molar mass: 213.07 g/mol
Exact mass: 211.9837 Da
Melting point: 128–129 °C
logP: 2.04Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

5400-80-6

SMILES

OC1c2ccccc2CC1Br

InChIKey

RTESDSDXFLYAKZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2

Weigh it out

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

Names and synonyms

4 names

1H-Inden-1-ol, 2-bromo-2,3-dihydro-
1-Indanol, 2-bromo-
2-Bromo-2,3-dihydro-1H-inden-1-ol
NSC 10389

Work with 2-Bromo-1-indanol

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

(1S,2R)-(-)-1-Amino-2-indanol126456-43-743 % similar (+)-cis-1-Amino-2-indanol136030-00-743 % similar (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-243 % similar (1S,2S)-1-Amino-2-indanol163061-74-343 % similar cis-1-Amino-2-indanol7480-35-543 % similar Dibenzosuberol1210-34-041 % similar 2-Indanol4254-29-940 % similar 1-Indanol6351-10-639 % similar

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

Same formula

4′-Bromopropiophenone10342-83-3 1-(3-Bromophenyl)-1-propanone19829-31-3 α-Bromopropiophenone2114-00-3 1-(2-Bromophenyl)propan-2-one21906-31-0 1-(3-Bromophenyl)propan-2-one21906-32-1 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-1 1-(4-Bromophenyl)propan-2-one6186-22-7 2-Bromo-4'-methylacetophenone619-41-0

Elsewhere

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