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ChemicalBook--->CAS DataBase List--->55052-28-3

55052-28-3

55052-28-3 Structure

55052-28-3 Structure
IdentificationMore
[Name]

4-Chloro-7-azaindole
[CAS]

55052-28-3
[Synonyms]

1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-
4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE
4-CHLORO-7-AZAINDOLE
IFLAB-BB F2108-0145
4-Chloro-1H-pyrrolo[2,3-b]pyridin
4-Chloro-1H-pyrrolo[2,3-β]pyridine
[EINECS(EC#)]

626-806-8
[Molecular Formula]

C7H5ClN2
[MDL Number]

MFCD08272232
[Molecular Weight]

152.58
[MOL File]

55052-28-3.mol
Chemical PropertiesBack Directory
[Melting point ]

176-181 °C
[density ]

1.425±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

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

solid
[pka]

12.98±0.40(Predicted)
[color ]

Light yellow to brown
[Water Solubility ]

Slightly soluble in water.
[Usage]

A useful intermediate for drug discovery research
[Detection Methods]

HPLC
[InChI]

InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
[InChIKey]

HNTZVGMWXCFCTA-UHFFFAOYSA-N
[SMILES]

C12NC=CC1=C(Cl)C=CN=2
[CAS DataBase Reference]

55052-28-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phosphorus oxychloride-->3-Chloroperoxybenzoic acid-->7-Azaindole
[Preparation Products]

4-CYANO-7-AZAINDOLE-->4-HYDROXYMETHYL-7-AZAINDOLE-->4-CHLORO-5-NITRO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-->Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate-->(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate-->7-Azaindole-4-carboxylic acid-->4-METHOXY-7-AZAINDOLE-->4-IODO-7-AZAINDOLE-->(4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-dimethyl-amine
Hazard InformationBack Directory
[Description]

4-Chloro-7-azaindole belongs to the class of azaindole compounds, which has anticancer, antibacterial, antiviral and other biological activities. 4-Chloro-7-azaindole is mainly used as an organic intermediate in the preparation of 7-azaindole derivatives, GDC-0575, and Janus kinase inhibitors.
[Chemical Properties]

White to brown solid
[Uses]

4-Chloro-7-azaindole can be used as a useful intermediate for drug discovery research.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 71, p. 4021, 2006 DOI: 10.1021/jo0602571
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-7-azaindole(55052-28-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

55052-28-3(sigmaaldrich)
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