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1-Chloro-4-iodobenzene

CAS：637-87-6
MW:238.45343
MF：C6H4ClI

1-Chloro-4-iodobenzene, with the chemical formula C6H4ClI and CAS registry number 637-87-6, is a compound known for its applications in organic synthesis. This yellow crystalline solid is characterized by its chlorine and iodine functional groups. It is commonly used as a reagent in various chemical reactions, offering a versatile platform for the introduction of chlorine and iodine moieties into different molecules. 1-Chloro-4-iodobenzene is also used as a starting material for the synthesis of pharmaceuticals and agrochemicals. It is important to handle this compound with caution as it may be harmful if swallowed, inhaled, or in contact with the skin. Proper safety precautions should be followed when working with 1-Chloro-4-iodobenzene.

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

1. Names and Identifiers

1.1 Name: 1-Chloro-4-iodobenzene

1.2 Synonyms: 1-Chloro-4-iodobenze; 1-chloro-4-iodo-benzen; 1-chloro-4-iodo-benzene; 1-iodo-4-chlorobenzene; 4-chloro-1-iodobenzene; 4-chloro-iodobenzene; 4-Chlorophenyl iodide; 4-Iodochlorobenzene; Benzene, 1-chloro-4-iodo-; Benzene,1-chloro-4-iodo; Chloro-4-iodobenz; EINECS 211-305-5; MFCD00001053; para-iodochlorobenzene; P-CHLOROIODOBENZENE; P-IODOCHLOROBENZENE;

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1.3 CAS No.: 637-87-6

1.4 CID: 12510

1.5 EINECS: 211-305-5

1.6 Molecular Formula: C6H4ClI

1.7 Inchi: InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H

1.8 InChkey: GWQSENYKCGJTRI-UHFFFAOYSA-N

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

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

2. Properties

2.1 Appearance: Off-white to light beige Crystalline Powder or Crystals

2.2 Storage: Light Sensitive. Ambient temperatures.

2.3 Chemical Properties: white to light yellow crystal powder

2.4 Color/Form: Off-white to light beige

2.5 Water Solubility: Insoluble

2.6 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

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

3. Use and Manufacturing

3.1 Description

1-Chloro-4-iodobenzene, with the chemical formula C6H4ClI, has the CAS number 637-87-6. It appears as a white to light yellow crystalline powder with a faint odor. The basic structure of 1-Chloro-4-iodobenzene consists of a chlorine atom and an iodine atom attached to a benzene ring. This compound is sparingly soluble in water. Safety information indicates that 1-Chloro-4-iodobenzene may cause skin and eye irritation. It is also harmful if swallowed or inhaled. Precautions should be taken to avoid exposure to this chemical, and protective measures should be used when handling it.

Applicable Fields

Organic Synthesis: 1-Chloro-4-iodobenzene is commonly used in organic synthesis reactions. Its purpose in this field involves its ability to serve as a starting material or reagent for the synthesis of various organic compounds. The mechanism of action in organic synthesis depends on the specific reaction being performed, but it often involves the substitution or addition of functional groups to the benzene ring.

Pharmaceuticals: This compound is also utilized in the pharmaceutical industry. Its purpose in this field includes its use as an intermediate or building block in the synthesis of pharmaceutical compounds. The mechanism of action in pharmaceuticals depends on the specific drug being synthesized, but it often involves the modulation of biological processes or interactions with specific targets.

Storage

Conditions: Store in a cool and dry place.

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3.2 Purification Methods: Distil it in a vacuum then recrystallise it from EtOH. [Sugden J Chem Soc 1173 1924, Beilstein 5 H 221, 5 III 579, 5 IV 695.] 1-Chloro-4-iodobenzeneSupplier

3.3 Usage: suzuki reaction

4. Safety and Handling

4.1 Safety: The Hazard Codes of 1-Chloro-4-iodobenzene (CAS NO.637-87-6):?Xn,Xi
Risk Statements:
R20/21/22:? Harmful by inhalation, in contact with skin and if swallowed?
R36/37/38:? Irritating to eyes, respiratory system and skin??
Safety Statements:
S36/37:? Wear suitable protective clothing and gloves?
S24/25:? Avoid contact with skin and eyes?

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4.2 Sensitive: Light Sensitive

4.3 Specification: ?1-Chloro-4-iodobenzene , its cas register number is 637-87-6. It also can be called 1-chloro-4-iodo-benzen ; 4-Iodochlorobenzene ; p-Chlorophenyliodide ; and Benzene,1-chloro-4-iodo- .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. 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	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	none
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

1H NMR : parameter in TMS

IR : KBr disc

IR : nujol mull

Mass

7. Synthesis Route

637-87-6Total: 63 Synthesis Route

74-11-3 196 Suppliers

637-87-6 152 Suppliers

98-66-8 71 Suppliers

637-87-6 152 Suppliers

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8. Precursor and Product

precursor:

71-43-2

591-50-4

101-84-8

74-11-3

873-77-8

106-47-8

540-37-4

932-72-9

108-90-7

98-66-8

product:

106-54-7

623-03-0

83-05-6

106-47-8

90-98-2

106-39-8

106-48-9

108-90-7

106-46-7

873-73-4

9. Computed Properties

Molecular Weight：238.45343g/mol
Molecular Formula：C₆H₄ClI
Compound Is Canonicalized：True
XLogP3-AA：237.90463
Monoisotopic Mass：237.90463
Complexity：66.9
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：8
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：AAADcYBgAAAEAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIgAAAACAKCECAwAIAAAACAACBCAAACAAAgBQAIiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

BRN: 1634414

Chemical Properties: white to light yellow crystal powder

Uses: suzuki reaction

Uses: 4-Chloroiodobenzene is used as a reagent in the synthesis of Clothiapine (C588550); an atypical antipsychotic of the dibenzothiazepine chemical class that has shown efficacy in treatment-resistant schizophrenic patients.

Purification Methods: Distil it in a vacuum then recrystallise it from EtOH. [Sugden J Chem Soc 1173 1924, Beilstein 5 H 221, 5 III 579, 5 IV 695.]

用途

Manufacturing Info: Benzene, 1-chloro-4-iodo-: ACTIVE

11. Toltal 142 Suppliers View more

Manufacturer supply 1-Chloro-4-iodobenzene CAS 637-87-6 with good quality

Wuhan Fortuna Chemical Co., Ltd.

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Tel: Update Time:2024/08/08

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Amitychem Corporation

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Tel: Update Time:2023/06/28

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Henan Tianfu Chemical Co.,Ltd

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Tel: Update Time:2024/11/15

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Dayang Chem (Hangzhou) Co., Ltd.

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Tel: Update Time:2024/06/17

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Jinlan Pharm-Drugs Technology Co., Limited

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Tel: Update Time:2024/08/08

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12. Related Questions

: What are the properties and applications of 1-Chloro-4-iodobenzene?Introduction 1-Chloro-4-iodobenzene, with the chemical formula C6H4ClI, is a colorless to pale yellow liquid with a distinctive pungent odor. It has a high melting point and boiling point, as well as ..; What is the composition and function of 1-Chloro-4-iodobenzene?1-Chloro-4-iodobenzene is a commonly used chemical substance in the pharmaceutical field with multiple applications. So, what is the composition and function of 1-Chloro-4-iodobenzene? The following i..; What are the storage precautions for the organic compound 1-Chloro-4-iodobenzene?The organic compound 1-Chloro-4-iodobenzene, when observed, appears as a pale yellow crystalline powder. Occasionally, it may also be white, but this is relatively rare and depends on its storage cond..; What are the synthesis and applications of 1-Chloro-4-iodobenzene?Basic features 1-Chloro-4-iodobenzene (1-Chloro-4-iodobenzene) is also known as 1-chloro-4-iodobenzene and 4-chloroiodobenzene. Its molecular formula is C6H4ClI, molecular weight is 238.45, and CAS nu..

13. Realated Product Infomation