Encyclopedia / Pharmaceutical Intermediates / Agrochemical Intermediates / Organic Intermediate

1,3-DICHLORO-4-IODOBENZENE

CAS：29898-32-6
MW:272.894
MF：C6H3Cl2I

1,3-DICHLORO-4-IODOBENZENE, with the chemical formula C6H3Cl2I and CAS registry number 29898-32-6, is a compound known for its applications in various chemical processes. This solid, also referred to as 1,3-Dichloro-4-iodobenzene, is characterized by its chlorine and iodine functional groups. It is commonly used as a building block in organic synthesis, offering a versatile platform for the introduction of chlorine and iodine moieties into different molecules. 1,3-DICHLORO-4-IODOBENZENE has a molecular weight of 281.90 g/mol and a melting point of 60-62°C. It is important to handle this compound with caution, as it may be harmful if swallowed, inhaled, or in contact with skin. Safety precautions should be followed when working with 1,3-DICHLORO-4-IODOBENZENE, including the use of appropriate protective equipment and working in a well-ventilated area.

View more+

Email Tweet Share

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

1. Names and Identifiers

1.1 Name: 1,3-DICHLORO-4-IODOBENZENE

1.2 Synonyms: 1,3-dichloro-6-iodobenzene; 1-Iodo-2,4-dichlorobenzene; 2,3:5,6-DI-O-ISOPROPYLIDENE-L-GULONOLACTONE; 2,4-Dichloro-1-iodobenzene; 2,4-dichloro-1-iodo-benzene; 2,4-DICHLOROIODOBENZENE; 2,4-Dichlorophenyl iodide; 4-Iodo-m-dichlorobenzene; Benzene, 2,4-dichloro-1-iodo-; EINECS 249-938-4; MFCD00001035; NSC 90657;

View all

1.3 CAS No.: 29898-32-6

1.4 CID: 96864

1.5 EINECS: 249-938-4

1.6 Molecular Formula: C6H3Cl2I

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

1.8 InChkey: ZQKJCBDCOGLKCQ-UHFFFAOYSA-N

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

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

2. Properties

2.1 Appearance: Clear colorless to yellow-orange liquid

2.2 Chemical Properties: Clear colourless to light yellow liquid 1,3-DICHLORO-4-IODOBENZENESupplier

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

3. Use and Manufacturing

3.1 Description

1,3-DICHLORO-4-IODOBENZENE, with the chemical formula C6H3Cl2I, has the CAS number 29898-32-6. It appears as a white to light yellow crystalline powder with no distinct odor. The basic structure of 1,3-DICHLORO-4-IODOBENZENE consists of one chlorine atom, one iodine atom, and two chlorine atoms attached to a benzene ring. This compound is sparingly soluble in water. Safety information regarding 1,3-DICHLORO-4-IODOBENZENE is not readily available.

Applicable Fields

Chemical synthesis: 1,3-DICHLORO-4-IODOBENZENE is commonly used as an intermediate in chemical synthesis. Its purpose in this field involves its ability to undergo various reactions to produce other compounds. The mechanism of action in chemical synthesis depends on the specific reaction being carried out.

Pharmaceutical research: This compound is also utilized in pharmaceutical research. Its purpose in this field involves its potential use as a building block for the synthesis of biologically active molecules. The mechanism of action in pharmaceutical research depends on the specific target and desired therapeutic effect.

Storage

Conditions: Store in a cool and dry place.

View all

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

View all

6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : liquid film

Mass

Mass spectrum (electron ionization)

7. Computed Properties

Molecular Weight：272.894g/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：AAADcQBgAAAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIgAAAACAKCECAwAIAAAACAACBCAAACAAAgBQAIiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAAAAA==

8.Other Information

BRN: 2245130

Chemical Properties: Clear colourless to light yellow liquid

9. Toltal 43 Suppliers View more

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

Shanghai Do Chemical Co.,Ltd

Tel: Update Time:2022/11/29

inquire

TCI (Shanghai) Development Co., Ltd.

Tel: Update Time:2019/11/26

inquire

Shanghai Hope Chem Co., Ltd.

Tel: Update Time:2018/11/21

inquire

HANGZHOU ZHENGCHU TRADE CO.,LTD

Tel: Update Time:2010/08/13

inquire

10. Realated Product Infomation