CAS 628-77-3 1,5-Diiodopentane (HCID 12354)

Substructure search Find similar structures

Basic information

CAS: 628-77-3
Standard SMILES: ICCCCCI
InChIKey: IAEOYUUPFYJXHN-UHFFFAOYSA-N
Molecular formula: C5H10I2
Average molar mass: 323.94 g/mol
Monoisotopic mass: 323.88719632

Names & identifiers

Preferred name: 1,5-Diiodopentane
IUPAC: 1,5-diiodopentane
English name: 1,5-Diiodopentane
Molecular formula: C5H10I2
Molecular weight: 323.94

Names & synonyms

1,5-DiiodopentanePENTANE, 1,5-DIIODO-NSC 9457EINECS 211-054-1BRN 1697281DTXSID5060859IAEOYUUPFYJXHN-UHFFFAOYSA-4-01-00-00317 (Beilstein Handbook Reference)RefChem:73487DTXCID5043552211-054-1IAEOYUUPFYJXHN-UHFFFAOYSA-N

Show more names

1,5-Diioopentane1,5-Diiodepentane1,5-diiodo-pentan1,1-diiodopentanePentane,1,5-diiodo-1,5-Diidopentane-d101,5-Diiodopentane,97%1,5-Diiodopentane PENTAMETHYLENE DIIODIDE

InChI=1/C5H10I2/c6-4-2-1-3-5-7/h1-5H2628-77-3Pentamethylene diiodideMFCD00001101C5H10I2NSC-94571,5-diiodopentan1.5-Diiodopentane

Database identifiers

CAS: 628-77-3
PubChem CID: 12354
DTXSID: DTXSID5060859
UNII: 9KQH995EVW
EC Number: 211-054-1
Nikkaji: J135.081A

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 25.3

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 9 °C · 9°C
Boiling point: 101 · 101-102 °C/3 mmHg (lit.)
Density: 2.177 g/mL · 2.177 g/mL at 25 °C (lit.)
refractive index: 1.5992 · 1.5992-1.6012
Flash point: 110 °C · >110°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Light yellow to Yellow to Orange
Water Solubility: insoluble
Sensitive: Light Sensitive
BRN: 1697281 · 1697281
InChI: InChI=1S/C5H10I2/c6-4-2-1-3-5-7/h1-5H2
InChIKey: IAEOYUUPFYJXHN-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: SA0425000
ridadr: 2810
hs_code: 29033990
Toxicity: mmo-sat 10 mmol/plate MUREAV 141,11,84
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
hazard_class: 6.1(b)
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPentane, 1,5-diiodo-: ACTIVE

Applications · 2 items

Uses1,5-Diiodopentane is used as a crosslinking reagent. It is used in the preparation of (iodoalkylaminocarbene)tungsten complexes. It is also used as alkylation to form unsubstituted cyclohexane. It is involved in the preparation of poly(1-vinyl imidazole-co-elthylene glycol methyl ether acrylate electrolytes and used for quasi-solid state dye-sensitized solar cells.

General DescriptionElectrochemical reduction of 1,5-diiodopentane at carbon electrodes in DMF containing tetramethylammonium perchlorate has been studied by cyclic voltammetry and controlled-potential electrolysis.