Tridecanoyl chloride

HCID 87288CAS 17746-06-4

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCC(=O)Cl
InChIKey: FJRPWCNFWGBGOF-UHFFFAOYSA-N
Molecular formula: C13H25ClO
Average molar mass: 232.79 g/mol
Monoisotopic mass: 232.1593931

Names & identifiers

Preferred name: Tridecanoyl chloride
IUPAC: tridecanoyl chloride
English name: TRIDECANOYL CHLORIDE
Molecular formula: C13H25ClO
Molecular weight: 232.79

Names & synonyms

Tridecanoyl chloride17746-06-4DTXSID9066259RefChem:191449DTXCID7035646Tridecanoylchloridetridecanoic acid chlorideC13H25ClOn-tridecanoic chlorideSCHEMBL434018MFCD00057694Tridecanoyl chloride, >=99.0% (GC)

Show more names

n-tridecanoyl chlorideAurofusarin Impurity 8Tridecanoylchloride , Tridecanoyl chloride

SY424506DB-257165HY-166026

Database identifiers

CAS: 17746-06-4
PubChem CID: 87288
DTXSID: DTXSID9066259
Nikkaji: J110.171D

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 11
Heavy atoms: 15
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 156 · 156-158 °C(Press: 11 Torr)
Density: 0.914 g/mL · 0.914 g/mL at 20 °C
refractive index: 20 · n20/D 1.447
EPA Substance Registry System: Tridecanoyl chloride (17746-06-4)
RIDADR: 1760 · 1760
WGK Germany: 3 · 3
F: 10 · 10-21
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

Safety data

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: 1760
hazard_class: 8
packing_group: III

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationTridecanoyl chloride: INACTIVE

Applications · 1 item

UsesTridecanoic Acid Chloride is an intermediate used in the synthesis of 5α-Dihydrotestosterone Tridecanoate-d3 (D454172), which is labeled Dihydrotestosterone Tridecanoate (D454170), a derivative of Androstanolone (A637540). Androstanolone (A637540) is an anabolic steroid.