1,2-dicloro-3-yodobenceno Estructura molecular

3D Mol Similar

1,2-dicloro-3-yodobenceno

: IUPAC Nombre：1,2-dichloro-3-iodobenzene; CAS Registry Number: 2401-21-0; Peso molecular：272.9

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1. Nombres y Identificadores

: 1.1 Nombre del producto; 1,2-dicloro-3-yodobenceno; 1.2 Sinónimos; 2,3-Dichloro-1-iodobenzene2,3-DICHLOROIODOBENZENE1,2-DICHLORO-3-IODOBENZENE1-Iodo-2,3-dichlorobenzene1 2-DICHLORO-3-IODOBENZENE 97%4-IodotolueneDichloride(Tol-Icl2)2,3-Dichloroiodobenzene, 98+%1,2-Dichloro-3-iodobenzene,98+%

1.3 CAS Registry Number: 2401-21-0

1.4 CID: 75459

1.5 Número EINECS: 219-276-0

1.6 Fórmula molecular: C6H3Cl2I (isomer)

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

1.8 InchiKey: VGJKBWPZBVBXGI-UHFFFAOYSA-N

1.9 Canónico SMILES: C1=CC(=C(C(=C1)I)Cl)Cl

1.10 Isómero SMILES: C1=CC(=C(C(=C1)I)Cl)Cl

2. Propiedades

2.1 Densidad: 2.015

2.2 Punto de fusión: 35-36 ° C (encendido)

2.3 Punto de Hierro: 123-126℃ (20 mmHg)

2.4 Índice refractivo: 1.642

2.5 Punto de Flash: >230 °F

2.6 PSA: 0.00000

2.7 logP: 3.59800

2.8 Almacenamiento: 0 10-° C

3. Seguridad y Manejo

3.1 Códigos de peligro: Xi

3.2 Frase R: 36/37/38-20/21/22

3.3 Frase S: 26-37/39-24/25-36/37/39

3.4 Descripción del peligro: H315

3.5 WGK Alemania: 3

3.6 Seguridad y riesgos

Códigos de peligro	Xi
Frase R	36/37/38-20/21/22
Frase S	26-37/39-24/25-36/37/39
WGK Alemania	3
Nota de peligro	Irritante

4. 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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5. NMR El espectro.

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

Predict 1H proton NMR

IR : liquid film

Mass

6. Árbol de objetos

2401-21-0Total: 3 Árbol de objetos

95-50-1 34 Productores

2401-21-0 72 Productores

La documentación.:
Naka, Hiroshi; Uchiyama, Masanobu; Matsumoto, Yotaro; Wheatley, Andrew E. H.; McPartlin, Mary; Morey, James V.; Kondo, Yoshinori Journal of the American Chemical Society, 2007 , vol. 129, # 7 p. 1921 - 1930
¡Salgan de la fábrica!: ~72%

591-50-4 238 Productores

2401-21-0 72 Productores

La documentación.:
American Cyanamid Company Patent: US4203918 A1, 1980 ; Title/Abstract Full Text Show Details American Cyanamid Co. Patent: US4358607 A1, 1982 ;
¡Salgan de la fábrica!: ~93%

608-27-5 66 Productores

2401-21-0 72 Productores

La documentación.:
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 1593 - 1598
¡Salgan de la fábrica!: null

7. Precursores y productos

Precursores:

591-50-4

95-50-1

608-27-5

Productos :

95-50-1

38444-93-8

41464-51-1

60233-25-2

180868-99-9

6953-83-9

61798-70-7

76842-07-4

41464-43-1

38444-85-8

52704-70-8

38444-84-7

8. otra información

8.1 BRN: 2247168

9. Datos químicos computacionales

Peso molecular: 272.894g/mol
Fórmula molecular: C₆H₃Cl₂I
Compound Is Canonicalized: True
XLogP3-AA: 3.8
Exact Mass: 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: AAADcQBgAAAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIgAAAACAKCECAwAIAAAACAACBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAAA==

10. Proveedores recomendados

Global67ProductoresVer todo >>

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

13YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

2,3-Dichloro-1-iodobenzene

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/06/17

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Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

3YRS

Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
Tel:+86-571-82512721
Email:sales@zeerrui.com

1,2-Dichloro-3-iodobenzene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2024/03/12

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Finetech Industry limited. Audited Suppliers

Products:custom synthesis,Lab reagent,CRO,CMO,R&D research chemicals.such as CAS:4651-67-6;CAS:99-16-1;CAS:145100-50-1
Tel:86-27-87465837

1,2-Dichloro-3-iodobenzene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2018/11/21

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Elsa Biotechnology Co.,Ltd. Audited Suppliers

Tel:86-025-84106591

1,2-Dichloro-3-iodobenzene

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/26

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Shanghai FWD Chemicals ltd Audited Suppliers

Products:It specializes in a comprehensive custom synthesis and manufacturing from gram to Multi ton production and also offer a laboratory scale multi-step synthesis of a wide variety of organic compounds .
Tel:86-21-34226250

Iodobenzene Dichloride

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/10/26

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11. información real del producto

29682-41-5 1,4-DICHLORO-2-IODOBENZENE

29898-32-6 1,3-DICHLORO-4-IODOBENZENE

133307-08-1 1,3-Dichloro-2-fluoro-5-iodobenzene

81067-44-9 1-BROMO-3,5-DICHLORO-2-IODOBENZENE

847560-51-4 1-(benzyloxy)-2,4-dichloro-5-iodobenzene

1806328-67-5 1,2-Dichloro-5-difluoromethoxy-3-iodobenzene

1804516-73-1 1,2-Dichloro-3-difluoromethoxy-6-iodobenzene

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