ChemicalBook--->CAS DataBase List--->491-11-2

491-11-2

491-11-2 Structure

491-11-2 Structure
IdentificationBack Directory
[Name]

3-chloro-4-nitrophenol
[CAS]

491-11-2
[Synonyms]

3-Chlor-4-nitrophenol
Phenol, 3-chloro-4-nitro-
2-Chloro-4-hydroxynitrobenzene
3-chloro-4-nitrophenol CAS NO.491-11-2
[EINECS(EC#)]

207-730-0
[Molecular Formula]

C6H4ClNO3
[MDL Number]

MFCD00466090
[MOL File]

491-11-2.mol
[Molecular Weight]

173.55
Chemical PropertiesBack Directory
[Melting point ]

120-121℃
[Boiling point ]

330.5±27.0 °C(Predicted)
[density ]

1.554
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

6.32±0.10(Predicted)
[color ]

Pale Yellow to Light Beige
[EPA Substance Registry System]

Phenol, 3-chloro-4-nitro- (491-11-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H302-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[HS Code ]

2908990000
Hazard InformationBack Directory
[Uses]

3-Chloro-4-nitrophenol was used as a reactant in the synthetic preparation of highly potent BTK and JAK3 dual inhibitors and it may also have antifungal activity.
[Synthesis]

3-Chlorophenol

108-43-0

3-chloro-4-nitrophenol

491-11-2

GENERAL METHOD: A suspension of 3-chlorophenol (18.5 mmol, 1.0 eq.) and Cu(NO3)2-3H2O (27.7 mmol, 1.5 eq.) in THF was formed by magnetic stirring or refluxing for several hours at 60 °C. The reaction was carried out under reduced pressure and the solvent was extracted with ethyl acetate (3 x 30 mL). Upon completion of the reaction, the solvent was removed under reduced pressure and the mixture was subsequently extracted with ethyl acetate (3 × 30 mL). The organic phases were combined, washed with saturated saline (5 mL), dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The crude product was purified by column chromatography to afford the target compound 3-chloro-4-nitrophenol in 67-90% yield.

[References]

[1] Journal of Chemical Sciences, 2011, vol. 123, # 1, p. 63 - 67
[2] Arkivoc, 2014, vol. 2014, # 5, p. 64 - 71
[3] Research on Chemical Intermediates, 2018, vol. 44, # 10, p. 6023 - 6038
[4] International Journal of Chemical Kinetics, 2017, vol. 49, # 8, p. 622 - 632
[5] Helvetica Chimica Acta, 1963, vol. 46, p. 727 - 741
Spectrum DetailBack Directory
[Spectrum Detail]

3-chloro-4-nitrophenol(491-11-2)1HNMR
491-11-2 suppliers list
Company Name: ChengDu TongChuangYuan Pharmaceutical Co.Ltd  
Telephone: 28-83379370 13880556291
Website: http://www.tcypharm.com
Company Name: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Chembon Pharmaceutical Co., Ltd.  
Telephone: 028-84252981 18583719936
Website: www.chembon.com.cn
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: SuZhou ShiYa Biopharmaceuticals, Inc.  
Telephone: 86(512)5235 8471 17715136450
Website: www.shiyabiopharm.com
Company Name: Jalor-Chem co.,LTD  
Telephone: 0510-0510-86396359 13382276200
Website: https://www.jalor-chem.com
Company Name: Shanghai JONLN Reagent Co., Ltd.  
Telephone: 400-0066400 13621662912
Website: http://www.jonln.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Quality Control Solutions Ltd.  
Telephone: 0755-66853366 13670046396
Website: www.qcsrm.com
Company Name: Tianjin Anhao Biological Technology Co., Ltd.  
Telephone:
Website: www.glsyntech.com
Company Name: Hangzhou J&H Chemical Co., Ltd.  
Telephone: 0571-87396432
Website: www.jhechem.com
Company Name: Chengdu DingDang Pharmaceutical Co., Ltd.  
Telephone: 028-86040038
Website: http://www.dingdangchem.com
Company Name: Chengdu Ainahua Chemicals Co., Ltd.  
Telephone: 028-86612776; 13699069380
Website: https://www.chemicalbook.com/supplier/10130892/
Company Name: Shanghai Changyan Chem & Tech Co., Ltd.  
Telephone: 021-20242659 18930833303
Website: www.changyanchem.cn
Company Name: ChengDu TongChuangYuan Pharmaceutical Co.Ltd  
Telephone: 028-83379370 13880556291
Website: http://www.tcypharm.com
Company Name: Jinan elephant international trading co., LTD  
Telephone:
Website: www.chemicalbook.com/ShowSupplierProductsList19883/0_EN.htm
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Tags:491-11-2 Related Product Information
367-21-5 40140-91-8 106792-83-0