p-Diiodobenzene

HCID 12208
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Basic information

CAS
624-38-4
Standard SMILES
Ic1ccc(I)cc1
InChIKey
LFMWZTSOMGDDJU-UHFFFAOYSA-N
Molecular formula
C6H4I2
Average molar mass
329.9 g/mol
Monoisotopic mass
329.84024613

Names & identifiers

Preferred name
p-Diiodobenzene
IUPAC
1,4-diiodobenzene
English name
1,4-Diiodobenzene
Molecular formula
C6H4I2
Molecular weight
329.9

Names & synonyms

1,4-DIIODOBENZENE624-38-4p-DiiodobenzeneBenzene, 1,4-diiodo-p-Benzene diiodideBenzene, p-diiodo-I9XCF83VAV4-IODOPHENYL IODIDENSC 6297NSC-6297P-PHENYLENE DIIODIDEEINECS 210-842-2
Show more names
diiodobenzene1,4-Diiodobenze4-DIIODOBENZENE1,4-Diiobenzene1,4-diiodbenzene1,4-Diodobenzene1,4-Diidobenzene1,4-diiodo-benzen
DTXSID2022092AI3-08885pDiiodobenzenepBenzene diiodideBenzene, pdiiodoBenzene, 1,4diiodoRefChem:858055Benzene, pdiiodo (8CI)

Database identifiers

CAS
624-38-4
PubChem CID
12208
DTXSID
DTXSID2022092
ChEMBL
CHEMBL454178
UNII
I9XCF83VAV
EC Number
210-842-2
Nikkaji
J6.849G

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesBand gap energy
Vapor Pressure0.00593 [mmHg]
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
131 · 131-133 °C (lit.)
Boiling point
285 °C · 285 °C (lit.)
Density
2.35 · 2.350
refractive index
1.6212 · 1.6212
Flash point
285 °C · 285°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See p-Dichlorobenzene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
8
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29036990
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,4-diiodo-: ACTIVE
Applications · 1 item

Uses1,4-Diiodobenzene is used in Suzuki reaction. It is used as a precursor in the preparation of martinellic acid and 1,4-bis(p-R-phenylethynyl)benzenes. Further, it is employed in the preparation of 1,4-diiodo-2,5-didodecylbenzene , which is a starting reagent for the synthesis of oligo(1,4-phenylene ethynylene). It is also used in human and animal nutrition products including antiseptics and disinfectants. In addition to this, it used in polarizing films for liquid crystal display chemicals.

Preparation methods

Preparation1,4-Diiodobenzene is obtained by diazotising p-iodoaniline followed by substitution. An alternative preparation method involves diazotising p-phenylenediamine hydrochloride, followed by substitution with potassium iodide.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

158 records
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Compound notes

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