CAS 64179-17-5 2-(Iodomethyl)-1,4-dioxane (HCID 2763045)

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Basic information

CAS: 64179-17-5
Standard SMILES: ICC1COCCO1
InChIKey: WWQGIZUTLRNTBG-UHFFFAOYSA-N
Molecular formula: C5H9IO2
Average molar mass: 228.03 g/mol
Monoisotopic mass: 227.96472753

Names & identifiers

Preferred name: 2-(Iodomethyl)-1,4-dioxane
IUPAC: 2-(iodomethyl)-1,4-dioxane
English name: 2-Iodomethyl-1,4-dioxane
Molecular formula: C5H9IO2
Molecular weight: 228.03

Names & synonyms

2-(iodomethyl)-1,4-dioxane64179-17-5DTXSID20376693RefChem:254185DTXCID20327721962-931-72-IODOMETHYL-1,4-DIOXANEMFCD064107311,4-Dioxane,2-(iodomethyl)-SCHEMBL711247rac-2-iodomethyl-1,4-dioxaneWWQGIZUTLRNTBG-UHFFFAOYSA-N

Show more names

1,4-Dioxane, 2-(iodomethyl)-

rac-2-(iodomethyl)-1,4-dioxanePCA17917AKOS030239495SY306745DB-081380E87350EN300-746941A1-00405

Database identifiers

CAS: 64179-17-5
PubChem CID: 2763045
DTXSID: DTXSID20376693
EC Number: 962-931-7

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Melting point: 48 ℃ · 48℃
Boiling point: 240 ℃ · 240℃
Density: 1.775 · 1.775
refractive index: 1.5242 · 1.5242
Flash point: 99 ℃ · 99℃
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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.