t-Butyl hypochlorite
Properties
- Molecular formula
- C4H9ClO
- Molar mass
- 108.56 g/mol
- Exact mass
- 108.0342 Da
- Density
- 0.9583 g/mL (at 18 °C)
- Boiling point
- 77.5 °C
- logP
- 1.96Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H250 Catches fire spontaneously if exposed to air80.9% of notifiers
- H271 May cause fire or explosion; strong Oxidizer80.9% of notifiers
- H314 Causes severe skin burns and eye damage87.2% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled80.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P220, P222, P231, P233, P240, P241, P242, P243, P260, P264, P271, P280, P283, P284, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P306+P360, P316, P321, P342+P316, P363, P370+P378, P371+P380+P375, P403, P403+P235, P405, P420, P501
Identifiers
CAS number
507-40-4SMILES
CC(C)(C)OClInChIKey
IXZDIALLLMRYOU-UHFFFAOYSA-NInChI
InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- tert-Butyl hypochlorite
- Hypochlorous acid, 1,1-dimethylethyl ester
- Hypochlorous acid, tert-butyl ester
- 1,1-Dimethylethyl hypochlorite
Reactions
Work with t-Butyl hypochlorite
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
Di-tert-butyl peroxide110-05-440 % similar
Methyl tert-butyl ether1634-04-435 % similar
tert-Butyl hydroperoxide75-91-233 % similar
tert-Butoxytrimethylsilane13058-24-730 % similar
tert-Butyl nitrite540-80-730 % similar
Ethyl tert-butyl ether637-92-330 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds