1-Chloro-2,2-dimethylpropane
Properties
- Molecular formula
- C5H11Cl
- Molar mass
- 106.59 g/mol
- Exact mass
- 106.0549 Da
- Density
- 0.8659 g/mL (at 20 °C)
- Melting point
- −20 °C
- Boiling point
- 84.3 °C
- logP
- 2.27Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor93.6% of notifiers
- H302 Harmful if swallowed83% of notifiers
- H317 May cause an allergic skin reaction83% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
753-89-9SMILES
CC(C)(C)CClInChIKey
JEKYMVBQWWZVHO-UHFFFAOYSA-NInChI
InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Propane, 1-chloro-2,2-dimethyl-
- Neopentyl chloride
- 2,2-Dimethylpropyl chloride
- (Chloromethyl)trimethylmethane
Work with 1-Chloro-2,2-dimethylpropane
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
2,2-Dimethyl-1,3-dichloropropane29559-55-550 % similar
1-Chloro-3,3-dimethylbutane2855-08-544 % similar
1,2-Dichloro-2-methylpropane594-37-644 % similar
1-Chloro-2-methylpropan-2-ol558-42-942 % similar
2,2,4,4-Tetramethylpentane1070-87-740 % similar
1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-740 % similar
3-Chloro-2,2-dimethylpropanol13401-56-438 % similar
1,2-Dichloro-2-fluoropropane420-97-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.