Heptyl carbonochloridate

C₈H₁₅ClO₂CAS 33758-34-8178.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₅ClO₂
Molar mass: 178.66 g/mol
Exact mass: 178.0761 Da
Boiling point: 60–62 °C (at 4 Torr)
logP: 3.33Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Danger

H290 May be corrosive to metals72.9% of notifiers
H302 Harmful if swallowed99.3% of notifiers
H317 May cause an allergic skin reaction99.3% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P390, P406, P501

Identifiers

CAS number

33758-34-8

SMILES

CCCCCCCOC(=O)Cl

InChIKey

SATRZZYUXUGZIE-UHFFFAOYSA-N

InChI

InChI=1S/C8H15ClO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3

Weigh it out

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

Names and synonyms

6 names

Carbonochloridic acid, heptyl ester
Formic acid, chloro-, heptyl ester
Heptyl chloroformate
n-Heptyl chloroformate
1-Heptyl chloroformate
Heptyl chlorocarbonate

Work with Heptyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dodecyl chloroformate24460-74-0100 % similar Hexadecyl carbonochloridate26272-90-2100 % similar Hexyl chloroformate6092-54-2100 % similar Pentyl chloroformate638-41-596 % similar Butyl chloroformate592-34-784 % similar Propyl chloroformate109-61-569 % similar Dicaprylyl carbonate1680-31-561 % similar Heptyl acetate112-06-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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