Isobutyl chloroformate
Properties
- Molecular formula
- C5H9ClO2
- Molar mass
- 136.57 g/mol
- Exact mass
- 136.0291 Da
- Density
- 1.04 g/mL
- Boiling point
- 128.8 °C
- Flash point
- 27 °C (closed cup)
- logP
- 2.02Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H290 May be corrosive to metals63.8% of notifiers
- H302 Harmful if swallowed95.1% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage66.3% of notifiers
- H331 Toxic if inhaled89.6% of notifiers
- H335 May cause respiratory irritation63.8% of notifiers
Aggregated from 163 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501
Identifiers
CAS number
543-27-1SMILES
CC(C)COC(=O)ClInChIKey
YOETUEMZNOLGDB-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Carbonochloridic acid, 2-methylpropyl ester
- 2-Methylpropan-1-yl chloroformate
- Formic acid, chloro-, isobutyl ester
- Isobutyl chlorocarbonate
- 2-Methylpropyl chloroformate
- 2-Methylpropyl carbonochloridate
- Chloroformic acid isobutyl ester
- Chlorocarbonic acid isobutyl ester
- Isobutoxycarbonyl chloride
- Isobutyloxycarbonyl chloride
- Isobutyl chloridocarbonate
- IBCF
- NSC 8429
- Isobutyl carbonochloridate
Work with Isobutyl chloroformate
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
Diisobutyl carbonate539-92-458 % similar
Propyl chloroformate109-61-554 % similar
Isobutyl acetate110-19-054 % similar
Ethyl chloroformate541-41-352 % similar
Isobutyl isovalerate589-59-352 % similar
Isobutyl isobutyrate97-85-852 % similar
Isobutyl (R)-2-hydroxypropionate61597-96-452 % similar
Isobutyl (S)-2-chloropropionate83261-15-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.