Geranyl chloride

C₁₀H₁₇ClCAS 5389-87-7172.70 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₁₀H₁₇Cl
Molar mass: 172.70 g/mol
Exact mass: 172.1019 Da
Density: 0.9435 g/mL (at 16 °C)
Boiling point: 103 °C (at 14 Torr)
logP: 3.92Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Warning

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

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

5389-87-7

SMILES

CC(C)=CCC/C(C)=C/CCl

InChIKey

WLAUCMCTKPXDIY-JXMROGBWSA-N

InChI

InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+

Weigh it out

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

Names and synonyms

8 names

2,6-Octadiene, 1-chloro-3,7-dimethyl-, (2E)-
2,6-Octadiene, 1-chloro-3,7-dimethyl-, (E)-
(2E)-1-Chloro-3,7-dimethyl-2,6-octadiene
trans-1-Chloro-3,7-dimethyl-2,6-octadiene
(E)-1-Chloro-3,7-dimethyl-2,6-octadiene
(E)-8-Chloro-2,6-dimethyl-2,6-octadiene
NSC 177220
(2E)-3,7-Dimethylocta-2,6-dien-1-yl chloride

Reactions

Work with Geranyl chloride

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

Squalene111-02-468 % similar Squalene7683-64-968 % similar Geraniol106-24-159 % similar Nerol106-25-259 % similar Thiogeraniol39067-80-659 % similar Geranyl bromide6138-90-559 % similar 1-Chloro-3-methyl-2-butene503-60-658 % similar Farnesol106-28-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

10-Chloro-3-decyne18295-64-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook