Nonane

C₉H₂₀CAS 111-84-2128.26 g/mol

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Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
Density: 0.7176 g/mL (at 20 °C)
Melting point: −51 °C
Boiling point: 150.8 °C
Flash point: 31 °C (closed cup)
Water solubility: 220 µg/L (25 °C)
logP: 3.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Danger

H226 Flammable liquid and vapor65.8% of notifiers
H304 May be fatal if swallowed and enters airways65.3% of notifiers
H315 Causes skin irritation55% of notifiers
H319 Causes serious eye irritation53.4% of notifiers
H332 Harmful if inhaled29.7% of notifiers
H336 May cause drowsiness or dizziness55.3% of notifiers
H400 Very toxic to aquatic life22.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects31% of notifiers
H411 Toxic to aquatic life with long lasting effects13.4% of notifiers

Aggregated from 1,344 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, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

111-84-2

SMILES

CCCCCCCCC

InChIKey

BKIMMITUMNQMOS-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

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Names and synonyms

4 names

n-Nonane
Shellsol 140
NSC 72430
Nonane-5-C12

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 111-84-2. Each row opens the sheet with its composition and PDF.

n-Nonane standard for GLC > 95 %Fisher Scientific UK · 2023-10-20

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Work with Nonane

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

Octane111-65-9100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar Tetracontane4181-95-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4-Dimethyl heptane1068-19-5 2,2,4,4-Tetramethylpentane1070-87-7 2,2,4-Trimethylhexane16747-26-5 (±)-2,4-Dimethylheptane2213-23-2 2,5-Dimethylheptane2216-30-0 3-Methyloctane2216-33-3 2,3-Dimethylheptane3074-71-3 2-Methyloctane3221-61-2

Elsewhere

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