5-Methylhexanoyl chloride

HCID 13664865

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Basic information

CAS: 5699-78-5
Standard SMILES: CC(C)CCCC(=O)Cl
InChIKey: HLDHFOCXVJJMBT-UHFFFAOYSA-N
Molecular formula: C7H13ClO
Average molar mass: 148.63 g/mol
Monoisotopic mass: 148.06549272

Names & identifiers

Preferred name: 5-Methylhexanoyl chloride
IUPAC: 5-methylhexanoyl chloride
English name: 5-Methylhexanoyl chloride
Molecular formula: C7H13ClO
Molecular weight: 148.63

Names & synonyms

5-METHYLHEXANOYL CHLORIDE5699-78-5DTXSID70546147RefChem:537275DTXCID70496931981-414-75-methyl-hexanoyl chlorideMFCD022586975-methylhexanoic acid chlorideIsoamylacetylchloridSCHEMBL14103635-Methylhexanoyl chloride, 97%

Show more names

Hexanoyl chloride, 5-methyl-5-METHYLHEXANOYL CHLORIDE(WXG00758)

HLDHFOCXVJJMBT-UHFFFAOYSA-NAKOS006280244G29633EN300-7605715

Database identifiers

CAS: 5699-78-5
PubChem CID: 13664865
DTXSID: DTXSID70546147
EC Number: 981-414-7

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 88.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Boiling point: 70 · 70-71 °C(Press: 1 Torr)
Density: 0.971 · 0.971±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.