CAS 629-09-4 1,6-Diiodohexane (HCID 12373)

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Basic information

CAS: 629-09-4
Standard SMILES: ICCCCCCI
InChIKey: QLIMAARBRDAYGQ-UHFFFAOYSA-N
Molecular formula: C6H12I2
Average molar mass: 337.97 g/mol
Monoisotopic mass: 337.90284638

Names & identifiers

Preferred name: 1,6-Diiodohexane
IUPAC: 1,6-diiodohexane
English name: 1,6-Diiodohexane
Molecular formula: C6H12I2
Molecular weight: 337.97

Names & synonyms

1,6-DiiodohexaneHEXANE, 1,6-DIIODO-K4QL8HA5VYDTXSID9060865QLIMAARBRDAYGQ-UHFFFAOYSA-4-01-00-00356 (Beilstein Handbook Reference).ALPHA.,.OMEGA.-DIIODOHEXANERefChem:73598ALPHA,OMEGA-DIIODOHEXANEDTXCID4043567211-073-5InChI=1/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

Show more names

1,6-Iodohexane1,6-diiohexane1,6-diiodo-hexan1,6-Diiodihexane1,6-diiodohexanes1,6-diodiodhexaneHexane,1,6-diiodo-HEXAMETHYLENEIODIDE1,6-Diiodohexane,99+%

QLIMAARBRDAYGQ-UHFFFAOYSA-N629-09-4Hexamethylene diiodide1,6-diiodo hexaneEINECS 211-073-5MFCD00001103BRN 1280128C6H12I2

Database identifiers

CAS: 629-09-4
PubChem CID: 12373
DTXSID: DTXSID9060865
UNII: K4QL8HA5VY
EC Number: 211-073-5
Nikkaji: J135.082J

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 31.5

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 9 · 9-10 °C (lit.)
Boiling point: 141 · 141-142 °C/10 mmHg (lit.)
Density: 2.05 g/mL · 2.05 g/mL at 25 °C (lit.)
refractive index: 1.5852 · 1.5852-1.5872
Flash point: 110 °C · >110°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: liquid
color: clear pale yellow
Water Solubility: Immiscible with water.
Sensitive: Light Sensitive
BRN: 1280128 · 1280128
InChI: InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey: QLIMAARBRDAYGQ-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 (97.9%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: MO1700000
ridadr: 2810
hs_code: 29033990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
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 InformationHexane, 1,6-diiodo-: ACTIVE

Applications · 1 item

Uses1,6-Diiodohexane is used as a precursor in the preparation of cationic tissue plasminogen activator (t-PA)-containing polyurethane surfaces. It is also used as a solvent additive and in potential power conversion efficiency of polymer or fullerene bulk heterojunction solar cells. Further, it is employed in the preparation of 3-(iodohexyl)-1-(3-(triethoxysilyl)propylcarbamoyl)-1H-benzo[d]imidazol-3-ium iodide and 2,4-dihydroxybenzophenone.