1-Chloro-3,3-dimethylbutane
Properties
- Molecular formula
- C6H13Cl
- Molar mass
- 120.62 g/mol
- Exact mass
- 120.0706 Da
- Density
- 0.867 g/mL (at 20 °C)
- Boiling point
- 115 °C
- logP
- 2.66Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed90.7% of notifiers
- H315 Causes skin irritation90.7% of notifiers
- H319 Causes serious eye irritation90.7% of notifiers
- H335 May cause respiratory irritation90.7% of notifiers
Aggregated from 43 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2855-08-5SMILES
CC(C)(C)CCClInChIKey
XGCKOSFYXBAPQM-UHFFFAOYSA-NInChI
InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Butane, 1-chloro-3,3-dimethyl-
- Neohexyl chloride
- 3,3-Dimethylbutyl chloride
- 4-Chloro-2,2-dimethylbutane
- NSC 76580
Work with 1-Chloro-3,3-dimethylbutane
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-Chloro-2,2-dimethylpropane753-89-944 % similar
1,1,1,3-Tetrachloropropane1070-78-642 % similar
2,2-Dimethylpentane590-35-242 % similar
1-Bromo-3,3-dimethylbutane1647-23-040 % similar
Chlorotrifluoropropane460-35-540 % similar
3,3-Dimethyl-1-butanol624-95-340 % similar
2,2-Dimethylhexane590-73-838 % similar
(3,3-Dimethylbutyl)dimethylchlorosilane96220-76-738 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.