1-Methylpropyl carbonochloridate

C₅H₉ClO₂CAS 17462-58-7136.57 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₅H₉ClO₂
Molar mass: 136.57 g/mol
Exact mass: 136.0291 Da
Density: 1.074 g/mL (at 25 °C)
Boiling point: 126 °C
logP: 2.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor14% of notifiers
H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage90.7% of notifiers
H330 Fatal if inhaled100% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

17462-58-7

SMILES

CCC(C)OC(=O)Cl

InChIKey

YSMHTFWPDRJCMN-UHFFFAOYSA-N

InChI

InChI=1S/C5H9ClO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

Carbonochloridic acid, 1-methylpropyl ester
Formic acid, chloro-, sec-butyl ester
sec-Butyl chloroformate
Chloroformic acid sec-butyl ester
But-2-yl chloroformate

Work with 1-Methylpropyl carbonochloridate

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

sec-Butyl acetate105-46-455 % similar Di-sec-butyl peroxydicarbonate19910-65-755 % similar Isopropyl chloroformate108-23-652 % similar Chloroethyl chloroformate50893-53-348 % similar Cyclopentyl chloroformate50715-28-143 % similar Cyclohexyl carbonochloridate13248-54-942 % similar 2-Ethylhexyl chloroformate24468-13-142 % similar Ethyl chloroformate541-41-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl chloroacetate105-48-6 5-Chloropentanoic acid1119-46-6 Beta-Chloropivalic acid13511-38-1 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Chloromethyl butanoate33657-49-7 Ethyl 2-chloropropionate535-13-7 Isobutyl chloroformate543-27-1

Elsewhere

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