Palmitoyl chloride

C₁₆H₃₁ClOCAS 112-67-4274.87 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₁₆H₃₁ClO
Molar mass: 274.87 g/mol
Exact mass: 274.2063 Da
Melting point: 11–12 °C
Boiling point: 199 °C (at 20 Torr)
logP: 6.23Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 14

Hazards

Danger

H290 May be corrosive to metals21.4% of notifiers
H312 Harmful in contact with skin52.7% of notifiers
H314 Causes severe skin burns and eye damage25.4% of notifiers
H315 Causes skin irritation74.1% of notifiers
H317 May cause an allergic skin reaction74.1% of notifiers

Aggregated from 201 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P333+P317, P362+P364, P363, P390, P405, P406, P501

Identifiers

CAS number

112-67-4

SMILES

CCCCCCCCCCCCCCCC(=O)Cl

InChIKey

ARBOVOVUTSQWSS-UHFFFAOYSA-N

InChI

InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3

Weigh it out

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

Names and synonyms

6 names

Hexadecanoyl chloride
Palmitic acid chloride
Hexadecanoic acid chloride
Palmitic chloride
Palmityl acid chloride
NSC 9854

Work with Palmitoyl chloride

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

Octanoyl chloride111-64-8100 % similar Decanoyl chloride112-13-0100 % similar Lauroyl chloride112-16-3100 % similar Tetradecanoyl chloride112-64-1100 % similar Stearoyl chloride112-76-5100 % similar Undecanoyl chloride17746-05-3100 % similar Heptanoyl chloride2528-61-2100 % similar Nonanoyl chloride764-85-2100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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