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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12337Generated: October 23, 2026

1,4-Diiodobutane

1,4-Dijodbutan · 1,4-Diodobutane · 1,4-Diisobutane · 1,4-diiodo-butan · 1,4-DIIODOBUTANE · α,ω-Diiodobutane · Butane,1,4-diiodo- · Tetramethylendijodid

https://huagongshe.com/en/chemical/12337

1,4-Diiodobutane molecular structure

Identifiers & Physical Properties

CAS No.628-21-7
Molecular formulaC4H8I2
Average molar mass309.92 g/mol
Monoisotopic mass309.87154626 g/mol
SMILESICCCCI
InChIKeyROUYUBHVBIKMQO-UHFFFAOYSA-N
PubChem CID12337
EC No.211-032-1
DTXSIDDTXSID5060851

Chemical & Physical Properties

XLogP3.6
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds3
Heavy atoms6
Formal charge0
Complexity17.5
Chemical classesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesDensity
Physical Descriptionmp = 5.8 deg C[ChemIDplus] Colorless liquid[MSDSonline]
Melting point6 °C (lit.)
Boiling point147-152 °C/26 mmHg (lit.)
Density2.35 g/mL at 25 °C (lit.)
Refractive indexn20/D 1.621(lit.)
Flash point108-110°C/10mm
Storage conditionsKeep in dark place,Inert atmosphere,Room temperature
Physical stateOil
Specific gravity2.35
AppearanceColorless to light yellow Liquid
Solubilityinsoluble
SensitivityLight Sensitive
BRN1098276
InChI1S/C4H8I2/c5-3-1-2-4-6/h1-4H2
InChIKeyROUYUBHVBIKMQO-UHFFFAOYSA-N
SMILESICCCCI
CAS DataBase Reference628-21-7(CAS DataBase Reference)
NIST Chemistry ReferenceButane, 1,4-diiodo-(628-21-7)
EPA Substance Registry SystemButane, 1,4-diiodo- (628-21-7)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Personal protective equipment (PPE)Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbolsXi
Risk statements (R)36/37/38
Safety statements (S)26-37/39
UN transport number2810
Water hazard class (WGK)3
RTECS numberEJ9200000
F8-10
TSCA inventory statusTSCA listed
Hazard class6.1(b)
Packing groupIII
Customs code29033080
Storage class10 - Combustible liquids

Safety & Regulations

GHS classificationWarningH315 (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.
Hazards summaryMay cause irritation[MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
F8-10
Personal protective equipment (PPE)Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberEJ9200000
UN transport number2810
Customs code29033080
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)26-37/39
Hazard class6.1(b)
Storage class10 - Combustible liquids
Packing groupIII
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Applications & Uses

Uses

1,4-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.