ChemicalBook--->CAS DataBase List--->1258298-05-3

1258298-05-3

1258298-05-3 Structure

1258298-05-3 Structure
IdentificationBack Directory
[Name]

2,6-Dichloro-4-cyanobenzoic acid
[CAS]

1258298-05-3
[Synonyms]

4-Cyano-2,6-dichlorobenzoic acid
4-Carboxy-3,5-dichlorobenzonitrile
Benzoic acid, 2,6-dichloro-4-cyano-
4-Cyano-2,6-dichlorobenzoic acid 95%
2,6-dichloro-4-cyanobenzoic acid methyl ester
[Molecular Formula]

C8H3Cl2NO2
[MDL Number]

MFCD17926545
[MOL File]

1258298-05-3.mol
[Molecular Weight]

216.021
Chemical PropertiesBack Directory
[Boiling point ]

337.6±42.0 °C(Predicted)
[density ]

1.62
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

0.86±0.25(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C8H3Cl2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
[InChIKey]

RABGVNSIHQKYAS-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=C(Cl)C=C(C#N)C=C1Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P271-P280
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dichloro-4-cyanobenzoic acid(1258298-05-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 2,6-dichloro-4-cyanobenzoate

409127-32-8

2,6-Dichloro-4-cyanobenzoic acid

1258298-05-3

Step b: Synthesis of 2,6-dichloro-4-cyanobenzoic acid Methyl 2,6-dichloro-4-cyanobenzoate (620 mg, 2.6 mmol) was suspended in pyridine (5 mL) and anhydrous lithium iodide (1000 mg, 8 mmol) was added. The reaction mixture was heated and stirred at reflux for 1 h, followed by concentration under reduced pressure to remove the pyridine. The residue was acidified to pH 2-3 with 2N hydrochloric acid under cooling in an ice bath.The precipitated solid was filtered, washed with water and dried to afford 2,6-dichloro-4-cyanobenzoic acid (380 mg, 86% yield) as a light brown solid.1H NMR (400 MHz, DMSO-d6): δ 8.23 (s, 2H).

[References]

[1] Patent: WO2012/160464, 2012, A1. Location in patent: Page/Page column 78
[2] Patent: US2014/155398, 2014, A1. Location in patent: Paragraph 0469; 0470
[3] Patent: US2010/317643, 2010, A1. Location in patent: Page/Page column 101
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 11, p. 4521 - 4536
1258298-05-3 suppliers list
Company Name: Nanjing discovery pharma Technology Co., Ltd
Tel: +8618651673534 , +8618651673534
Website: www.chemicalbook.com/supplier/13081345/
Company Name: Nanjing ChemLin Chemical Industry Co., Ltd.
Tel: 025-83697070
Website: www.echemlin.cn
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Tel: +8613580539051 , +8613580539051
Website: www.yuhengpharm.com
Company Name: Hefei Hirisun Pharmatech Co., Ltd
Tel: +8615056975894 , +8615056975894
Website: www.hirisunpharm.com
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418684 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: Aromsyn Co., Ltd.
Tel: +86-0571-85585865 +8613336024896 , +8613336024896
Website: https://www.aromsyn.com/
Company Name: Henan Fengda Chemical Co., Ltd
Tel: +86-371-86557731 +86-13613820652 , +86-13613820652
Website: www.fdachem.com
Company Name: Suzhou ARTK Medchem Co., Ltd.
Tel: +8618118463618 , +8618118463618
Website:
Company Name: SHANGHAI KEAN TECHNOLOGY CO., LTD.
Tel: +8613817748580 , +8613817748580
Website: www.kean-chem.com
Company Name: Cangzhou Kangrui Pharma Tech Co. Ltd.,
Tel: +86-18632776803 +86-13833998158 , +86-13833998158
Website: www.chemicalbook.com/enterprisecertification_en_132249780.htm
Company Name: Chongqing Chemdad Co., Ltd
Tel: +86-023-6139-8061 +86-86-13650506873 , +86-86-13650506873
Website: http://www.chemdad.com/
Company Name: Amadis Chemical Company Limited
Tel: 571-89925085
Website: http://www.amadischem.com
Company Name: Chemwill Asia Co.,Ltd.  
Tel: 86-21-51086038
Website: www.chemwill.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Tel: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: SHANGHAI FORTUNE CHEMICAL TECHNOLOGY CO., LTD  
Tel: 13816107857
Website: https://www.chemicalbook.com/ShowSupplierProductsList15869/0_EN.htm
Company Name: Chem-Stone Co.,Ltd.  
Tel: 020-82185713,82185709 13418171485
Website: www.chem-stone.com
Tags:1258298-05-3 Related Product Information