Benzene, 1,2-dichloro-4-iodo-

HCID 88591CAS 20555-91-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccc(I)cc1Cl
InChIKey
NADPFZNWCQIJJW-UHFFFAOYSA-N
Molecular formula
C6H3Cl2I
Average molar mass
272.89 g/mol
Monoisotopic mass
271.86565346

Names & identifiers

Preferred name
Benzene, 1,2-dichloro-4-iodo-
IUPAC
1,2-dichloro-4-iodobenzene
English name
3,4-Dichloroiodobenzene
Molecular formula
C6H3Cl2I
Molecular weight
272.9

Names & synonyms

1,2-Dichloro-4-iodobenzeneBenzene, 1,2-dichloro-4-iodo-EINECS 243-874-0DTXSID9066625RefChem:117288DTXCID0036342243-874-0NADPFZNWCQIJJW-UHFFFAOYSA-N20555-91-33,4-Dichloroiodobenzene3,4-dichloro-1-iodobenzeneMFCD00019014
Show more names
4-Iodo-o-dichlorobenzene3,4-Dichlorophenyl iodide1,2-dichloro-4-iodo-benzen3,4-Dichloroiodobenzene 99%3,4-Dichloroiodobenzene,98%Benzene,1,2-dichloro-4-iodo-1,2-Dichloro-4-iodobenzene >
M6AU4ABW4L1,2-dichloro-5-iodobenzeneSCHEMBL805651,2-dichloro-4-iodo-benzeneAC-9702Z401315340Maybridge1_001437AM61836

Database identifiers

CAS
20555-91-3
PubChem CID
88591
DTXSID
DTXSID9066625
UNII
M6AU4ABW4L
EC Number
243-874-0
Nikkaji
J208.352C

Properties

Computed structural properties

XLogP
4.3
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
27 · 27-29 °C (lit.)
Boiling point
116 · 116-118 °C (12 mmHg)
Density
1.9882 · 1.9882 (estimate)
refractive index
1.648 · 1.6480
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

H302 (68.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 19 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 CategoriesAcute Tox. 4 (68.4%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29039990
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,2-dichloro-4-iodo-: ACTIVE

Applications

Uses3,4-Dichloroiodobenzene may be used in the preparation of:tetrachloromethoxybiphenyls 1-(3,4-dichlorophenyl)-2-trimethylsilylacetylene2-(3,4-dichlorocinnamyl)isoindoline-1,3-dione

General Description3,4-Dichloroiodobenzene undergoes Stille coupling reaction with vinyltributyltin in the presence of Pd(0)precursors to furnish styrene derivative.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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

49 records
New reaction record

Linked notes

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