1-Bromodecane
Properties
- Molecular formula
- C10H21Br
- Molar mass
- 221.18 g/mol
- Exact mass
- 220.0827 Da
- Density
- 1.0683 g/mL (at 20 °C)
- Melting point
- −29.2 °C
- Boiling point
- 240.6 °C
- logP
- 4.52Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 8
Hazards
Warning
- H315 Causes skin irritation15.1% of notifiers
- H319 Causes serious eye irritation15.1% of notifiers
- H400 Very toxic to aquatic life83% of notifiers
- H410 Very toxic to aquatic life with long lasting effects11.3% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
112-29-8SMILES
CCCCCCCCCCBrInChIKey
MYMSJFSOOQERIO-UHFFFAOYSA-NInChI
InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Decane, 1-bromo-
- Decyl bromide
- n-Decyl bromide
- 1-Decyl bromide
- NSC 8780
- 10-Bromodecane
Work with 1-Bromodecane
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-Bromohexane111-25-1100 % similar
1-Bromooctane111-83-1100 % similar
1-Bromotetradecane112-71-0100 % similar
1-Bromohexadecane112-82-3100 % similar
1-Bromooctadecane112-89-0100 % similar
1-Bromododecane143-15-7100 % similar
1-Bromoheptadecane3508-00-7100 % similar
1-Bromoeicosane4276-49-7100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.