1,4-Diiodobutane (HCID 12337)

Names & identifiers

Preferred name: 1,4-Diiodobutane
IUPAC: 1,4-diiodobutane
English name: 1,4-Diiodobutane
Molecular formula: C4H8I2
Molecular weight: 309.92

Names & synonyms

1,4-Diiodobutane628-21-7Tetramethylene iodideBUTANE, 1,4-DIIODO-Tetramethylene diiodideDTXSID5060851RefChem:73277DTXCID6043541211-032-11,4-DiodobutaneMFCD00001099EINECS 211-032-1

Show more names

1,4-Dijodbutan1,4-Diisobutane1,4-diiodo-butanα,ω-DiiodobutaneButane,1,4-diiodo-Tetramethylendijodid1,4-Diiodobutane,98%

NSC 317211,4-diiodo-butaneBRN 1098276C4H8I24-01-00-00276 (Beilstein Handbook Reference)1,4-Diiodobutane (stabilized with Copper chip)1,4-Diodobutane; NSC 31721; Tetramethylene Diiodide; alpha,?-Diiodobutane1,4 diiodobutane

Database identifiers

CAS: 628-21-7
PubChem CID: 12337
DTXSID: DTXSID5060851
EC Number: 211-032-1
Nikkaji: J135.083H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 17.5

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesDensity

Physical Descriptionmp = 5.8 deg C; [ChemIDplus] Colorless liquid; [MSDSonline]

Physicochemical properties

Melting point: 6 °C · 6 °C (lit.)
Boiling point: 147 · 147-152 °C/26 mmHg (lit.)
Density: 2.35 g/mL · 2.35 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.621(lit.)
Flash point: 108 · 108-110°C/10mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Oil
Specific Gravity: 2.35 · 2.35
Appearance: Colorless to light yellow Liquid
Water Solubility: insoluble
Sensitive: Light Sensitive
BRN: 1098276 · 1098276
InChI: 1S/C4H8I2/c5-3-1-2-4-6/h1-4H2
InChIKey: ROUYUBHVBIKMQO-UHFFFAOYSA-N
SMILES: ICCCCI
CAS DataBase Reference: 628 · 628-21-7(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Butane, 1,4-diiodo-(628-21-7)
EPA Substance Registry System: 1 · Butane, 1,4-diiodo- (628-21-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
RTECS: 9200000 · EJ9200000
F: 8 · 8-10
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29033080 · 29033080
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

Safety data

F: 8-10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: EJ9200000
ridadr: 2810
hs_code: 29033080
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: 6.1(b)
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButane, 1,4-diiodo-: ACTIVE

Applications

Uses1,4-Diiodobutane is used as an additive to enhance perovskite solar cell performance. It is used as a crosslinking agent for the synthesis of anion exchange membranes from cellulose.