Benzene, 1,2-dichloro-4-iodo-
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Basic information
- CAS
20555-91-3- 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 propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
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
- solubility
- soluble in Methanol
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- Sensitive
- Light Sensitive
- BRN
- 2245136 · 2245136
- InChI
- 1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant/Light Sensitive
- safety_code
- 37/39-26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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
Upstream raw materials
Downstream products
Related reactions
49 records
Compound notes
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