Isopropyl chloroformate

C₄H₇ClO₂CAS 108-23-6122.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇ClO₂
Molar mass: 122.55 g/mol
Exact mass: 122.0135 Da
Density: 1.08 g/mL
Melting point: −80 °C
Boiling point: 104.6 °C (at 761 Torr)
Flash point: 20 °C (closed cup)
logP: 1.77Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed99.5% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction18.8% of notifiers
H318 Causes serious eye damage68.8% of notifiers
H330 Fatal if inhaled90.4% of notifiers

Aggregated from 208 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

108-23-6

SMILES

CC(C)OC(=O)Cl

InChIKey

IVRIRQXJSNCSPQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

Carbonochloridic acid, 1-methylethyl ester
Formic acid, chloro-, isopropyl ester
Isopropyl chlorocarbonate
Isopropyl chlorcarbonate
Chloroformic acid isopropyl ester
2-Propyl chloroformate
1-Methylethyl chloroformate
Isopropoxycarbonyl chloride
Isopropyl carbonochloridate

Work with Isopropyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chloroethyl chloroformate50893-53-358 % similar 1-Methylpropyl carbonochloridate17462-58-752 % similar Diisopropyl carbonate6482-34-450 % similar Diisopropyl tartrate2217-15-446 % similar Cyclopentyl chloroformate50715-28-146 % similar Isobutyl chloroformate543-27-146 % similar Diisopropyl (-)-tartrate62961-64-246 % similar Diisopropyl peroxydicarbonate105-64-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl chloroacetate105-39-5 Propyl chloroformate109-61-5 2-Ethoxyacetyl chloride14077-58-8 Methyl 2-chloropropionate17639-93-9 2-(Chloromethyl)-1,3-dioxolane2568-30-1 (S)-2-Chloro-N-butyric acid32653-32-0 2-Chlorobutanoic acid4170-24-5 4-Chlorobutanoic acid627-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook