2-Chlorobutane
Properties
- Molecular formula
- C4H9Cl
- Molar mass
- 92.57 g/mol
- Exact mass
- 92.0393 Da
- Density
- 0.8621 g/mL (at 30 °C)
- Melting point
- −140 °C
- Boiling point
- 68 °C
- logP
- 2.02Crippen 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
- H290 May be corrosive to metals62.6% of notifiers
- H315 Causes skin irritation11.8% of notifiers
- H319 Causes serious eye irritation11.8% of notifiers
- H335 May cause respiratory irritation11.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects62.6% of notifiers
Aggregated from 187 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P234, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501
Identifiers
CAS number
78-86-4SMILES
CCC(C)ClInChIKey
BSPCSKHALVHRSR-UHFFFAOYSA-NInChI
InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Butane, 2-chloro-
- sec-Butyl chloride
- 1-Methylpropyl chloride
- (±)-2-Chlorobutane
Work with 2-Chlorobutane
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
1,2-Dichloropropane78-87-547 % similar
(S)-(+)-2-Chloropropan-1-ol19210-21-045 % similar
(R)-(-)-2-Chloropropan-1-ol37493-14-445 % similar
Propylene chlorohydrin78-89-745 % similar
1,3-Dichlorobutane1190-22-343 % similar
3,4-Dimethylhexane583-48-239 % similar
Isopentane78-78-439 % similar
3-Methylpentane96-14-039 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds