1,3-Dibromobutane

C₄H₈Br₂CAS 107-80-2215.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈Br₂
Molar mass: 215.92 g/mol
Exact mass: 213.8993 Da
Density: 1.7904 g/mL (at 20 °C)
Boiling point: 174 °C
logP: 2.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

107-80-2

SMILES

CC(Br)CCBr

InChIKey

XZNGUVQDFJHPLU-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

2 names

Butane, 1,3-dibromo-
(±)-1,3-Dibromobutane

Work with 1,3-Dibromobutane

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-Dibromopentane626-87-970 % similar 2,5-Dibromohexane24774-58-165 % similar 2-Bromopentane107-81-352 % similar 1-Bromo-3-methylbutane107-82-450 % similar 1,5-Dibromo-3-methylpentane4457-72-150 % similar 1,2-Dibromopropane78-75-150 % similar 2-Bromohexane3377-86-448 % similar 2,4-Dibromopentane19398-53-947 % similar

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

Same formula

1,4-Dibromobutane110-52-1 1,2-Dibromobutane533-98-2 2,3-Dibromobutane5408-86-6 2-Bromoisobutyl bromide594-34-3

Elsewhere

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