1-Bromopropene

C₃H₅BrCAS 590-15-8120.98 g/mol

Open in Covalent MOL file

Alkene Vinyl halide

Properties

Molecular formula: C₃H₅Br
Molar mass: 120.98 g/mol
Exact mass: 119.9575 Da
Density: 1.4062 g/mL (at 25 °C)
Boiling point: 59–60 °C (at 755 Torr)
logP: 1.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

590-15-8

SMILES

C/C=C/Br

InChIKey

NNQDMQVWOWCVEM-NSCUHMNNSA-N

InChI

InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2+

Weigh it out

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

Names and synonyms

12 names

1-Propene, 1-bromo-, (1E)-
Propene, 1-bromo-, (E)-
1-Propene, 1-bromo-, (E)-
Propene, 1-bromo-, trans-
trans-1-Bromopropene
trans-1-Bromo-1-propene
(E)-1-Bromo-1-propylene
(E)-1-Bromo-1-propene
(E)-1-Propenyl bromide
(E)-1-Bromopropene
1-Bromo-(1E)-propene
(E)-1-Bromoprop-1-ene

Work with 1-Bromopropene

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

1,2-Dibromoethene540-49-845 % similar But-2-ene107-01-736 % similar cis-2-Butene590-18-136 % similar trans-2-Butene624-64-636 % similar 2-(Bromovinyl)trimethylsilane41309-43-733 % similar Trans,trans-2,4-Hexadiene5194-51-431 % similar 2,4-Hexadiene592-46-131 % similar

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

Same formula

Allyl bromide106-95-6 Bromocyclopropane4333-56-6 2-Bromopropene557-93-7

Elsewhere

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