Basic information
- CAS
3032-81-3- Standard SMILES
Clc1cc(Cl)cc(I)c1- InChIKey
AATPRMRVLQZEHB-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2I
- Average molar mass
- 272.89 g/mol
- Monoisotopic mass
- 271.86565346
Names & identifiers
- Preferred name
- 1,3-Dichloro-5-iodobenzene
- IUPAC
- 1,3-dichloro-5-iodobenzene
- English name
- 3,5-Dichloroiodobenzene
- Molecular formula
- C6H3Cl2I
- Molecular weight
- 272.9
Names & synonyms
1,3-Dichloro-5-iodobenzene3,5-DichloroiodobenzeneBenzene, 1,3-dichloro-5-iodo-V7B3N2933KNSC-80149DTXSID40628003,5dichloroiodobenzeneRefChem:726263,5Dichlorophenyl iodideBenzene, 1,3dichloro5iodoDTXCID5038171AATPRMRVLQZEHB-UHFFFAOYSA-N
Show more names
1,3-dichloro-5-iodo-benzen3,5-Dichloroiodobenzene 98%1,3-Dichloro-5-iodobenzene,99%1,3-Dichloro-5-iodobenzene, 99% 5GR3,5-Dichloroiodobenzene ISO 9001：2015 REACH
InChI=1/C6H3Cl2I/c7-4-1-5(8)3-6(9)2-4/h1-33032-81-33,5-Dichlorophenyl iodideMFCD000010471,3-dichloro-5-iodo-benzene3,5-DICHLORO-1-IODOBENZENE3,5-Dichlorophenyl Iodide; 3,5-Dichloro-1-iodobenzene; 1,3-Dichloro-5-iodobenzene; 1-Iodo-3,5-dichlorobenzeneNSC80149
Database identifiers
- CAS
3032-81-3- PubChem CID
- 76424
- DTXSID
DTXSID4062800- UNII
- V7B3N2933K
- EC Number
- 221-216-3
- Nikkaji
- J80.622F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 56 · 56-58 °C (lit.)
- Boiling point
- 127 °C · 127°C 20mm
- Density
- 1.9882 · 1.9882 (estimate)
- Flash point
- 127 °C/20mm · 127°C/20mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Yellow
- Sensitive
- Light Sensitive
- BRN
- 2242455 · 2242455
- InChI
- 1S/C6H3Cl2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 6 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 m-Dichlorobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (30%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Skin Irrit. 2
- 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, 1,3-dichloro-5-iodo-: ACTIVE
Applications
Uses3,5-Dichloroiodobenzene is used as a glycolate oxidase inhibitors.
Uses3,5-Dichloroiodobenzene was used as selective reagent for the derivatization of proximinal bifunctional compounds.
Upstream & downstream products
Downstream products
Suppliers100 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Related reactions
63 records
Compound notes
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