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1,4-DICHLORO-2-IODOBENZENE

CAS：29682-41-5
MW:272.89849
MF：C6H3Cl2I

1,4-DICHLORO-2-IODOBENZENE, with the chemical formula C6H3Cl2I and CAS registry number 29682-41-5, is a compound known for its applications in various chemical processes. This solid, also referred to as Dichloroiodobenzene, is characterized by its chlorine and iodine functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of chlorine and iodine moieties into different molecules.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1,4-DICHLORO-2-IODOBENZENE

1.2 Synonyms: 1,4-Dichlor-2-jod-benzol; 1,4-dichloro-2-iodo-benzene; 1,4-dichloro-6-iodobenzene; 1-Iodo-2,5-dichlorobenzene; 2,5-Dichloro-1-iodobenzene; 2,5-DICHLOROIODOBENZENE; 2,5-dichloro-iodobenzene; 2,5-Dichlorophenyl iodide; 2-Iodo-1,4-dichlorobenzene; 2-Iodo-p-dichlorobenzene; Benzene, 1,4-dichloro-2-iodo-; Benzene,1,4-dichloro-2-iodo; EINECS 249-774-3; MFCD00001036;

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1.3 CAS No.: 29682-41-5

1.4 CID: 122452

1.5 EINECS: 249-774-3

1.6 Molecular Formula: C6H3Cl2I

1.7 Inchi: InChI=1S/C6H3Cl2I/c7-4-1-2-5(8)6(9)3-4/h1-3H

1.8 InChkey: SBHVNORGKIPGCL-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C(C=C1Cl)I)Cl

1.10 Isomers Smiles: C1=CC(=C(C=C1Cl)I)Cl

2. Properties

2.1 Appearance: COLORLESS TO GOLD LIQUID

2.2 Storage: Light Sensitive. Ambient temperatures.

2.3 Chemical Properties: Clear colourless tobrownishliquid 1,4-DICHLORO-2-IODOBENZENESupplier

2.4 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Description

1,4-DICHLORO-2-IODOBENZENE is a chemical compound with the CAS number 29682-41-5. It appears as a solid with a color that can range from white to light yellow. It has a slight odor. The molecular formula of 1,4-DICHLORO-2-IODOBENZENE is C6H3Cl2I. This compound is sparingly soluble in water. Safety information regarding this chemical is not available.

Applicable Fields

1,4-DICHLORO-2-IODOBENZENE is used in various fields for different purposes. One of its applicable fields is in the production of pharmaceuticals. It can be used as an intermediate in the synthesis of pharmaceutical compounds. The mechanism of action in this context involves its ability to undergo chemical reactions and form new compounds that have medicinal properties.

Another applicable field for 1,4-DICHLORO-2-IODOBENZENE is in the field of organic synthesis. It can be used as a building block or starting material for the synthesis of more complex organic compounds. The mechanism of action in organic synthesis involves its participation in chemical reactions and its ability to introduce specific functional groups into the target molecule.

Storage

Store in a cool and dry place.

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4. Safety and Handling

4.1 Sensitive: Light Sensitive

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : liquid film

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

29682-41-5Total: 14 Synthesis Route

95-82-9 121 Suppliers

29682-41-5 50 Suppliers

89-62-3 82 Suppliers

29682-41-5 50 Suppliers

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8. Precursor and Product

precursor:

89-62-3

63069-48-7

5326-39-6

52164-28-0

15470-55-0

106-46-7

135145-90-3

13194-69-9

95-82-9

product:

51274-67-0

68099-35-4

38417-89-9

7145-82-6

1201-99-6

78143-73-4

51274-68-1

106-46-7

35693-99-3

583-78-8

9. Computed Properties

Molecular Weight：272.89849g/mol
Molecular Formula：C₆H₃Cl₂I
Compound Is Canonicalized：True
XLogP3-AA：271.86565
Monoisotopic Mass：271.86565
Complexity：97.1
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQBgAAAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIgAAAACAKCECAwAIAAAACAACBCAAACAAAgBQAIiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAAA==

10. Toltal 47 Suppliers View more

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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Jiaxing Isen Chemical Co.,Ltd

Tel: Update Time:2022/05/26

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Shijiazhuang Sdyano Fine Chemical Co., Ltd

Tel: Update Time:2019/04/01

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TCI (Shanghai) Development Co., Ltd.

Tel: Update Time:2019/11/26

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Pure Chemistry Scientific Inc.

Tel: Update Time:2019/02/25

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11. Realated Product Infomation