2,4-Dichloro-1-iodobenzene

HCID 96864CAS 29898-32-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccc(I)c(Cl)c1
InChIKey
ZQKJCBDCOGLKCQ-UHFFFAOYSA-N
Molecular formula
C6H3Cl2I
Average molar mass
272.89 g/mol
Monoisotopic mass
271.86565346

Names & identifiers

Preferred name
2,4-Dichloro-1-iodobenzene
IUPAC
2,4-dichloro-1-iodobenzene
English name
1,3-DICHLORO-4-IODOBENZENE
Molecular formula
C6H3Cl2I
Molecular weight
272.9

Names & synonyms

2,4-Dichloro-1-iodobenzene29898-32-61,3-Dichloro-4-iodobenzene2,4-DichloroiodobenzeneBenzene, 2,4-dichloro-1-iodo-QK5EJG6XB6EINECS 249-938-42,4-DICHLOROPHENYL IODIDENSC-90657DTXSID00184011NSC 90657RefChem:443253
Show more names
4-Iodo-m-dichlorobenzene2,4-dichlor-1-iodobenzene2,4-Dichloroiodobenzene 98%
DTXCID10106502249-938-4MFCD000010351-Iodo-2,4-dichlorobenzeneUNII-QK5EJG6XB61,3-dichloro4-iodobenzeneSCHEMBL7674632,4-dichloro-1-iodo-benzene

Database identifiers

CAS
29898-32-6
PubChem CID
96864
DTXSID
DTXSID00184011
UNII
QK5EJG6XB6
EC Number
249-938-4
Nikkaji
J88.635A

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
97 · 97-100°C
Boiling point
262 · 262-263 °C(lit.)
Density
2.01 g/mL · 2.01 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.647(lit.)
Flash point
230 °F · >230 °F
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 46 reports by companies from 6 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
hs_code
2903998090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2,4-Dichloroiodobenzene has been used in the preparation of 2,4,2′,4′ -tetrachlorobiphenyl, major component of commercial polychlorobiphenyls.

General DescriptionUllmann coupling reaction of 2,4-dichloroiodobenzene with chlorinated iodobenzene has been investigated.

Upstream & downstream products

Suppliers50 total

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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

31 records
New reaction record

Linked notes

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