5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

Basic Information

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CAS Number

1036027-54-9

Molecular Formula

C8H5F3N2

Molecular Weight

186.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

104-105 ºC

Boiling Point

270.7℃ at 760 mmHg

SMILES

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C1=CNC2=NC=C(C=C21)C(F)(F)F

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6/h1-4H,(H,12,13)

InChIKey

KHAGHXUTEFDDOD-UHFFFAOYSA-N

LogP

2.5816999999999997

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

192

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005072638
5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine, AldrichCPR
EN300-174632
SCHEMBL298532
5-trifluoromethyl-lH-pyrrolo[2,3-b]pyridine
CS-W008572
PB17368
DTXSID70652732
5-(Trifluoromethyl)-7-azaindole
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
A800768
5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine
J-516437
SY110041
3,5-Dimethylisatoicanhydride
1036027-54-9
FT-0645703
GC-0735
AMY2795
1H-PYRROLO[2,3-B]PYRIDINE, 5-(TRIFLUOROMETHYL)-
5-Trifluoromethyl-7-azaindole
MFCD06659680
1H-Pyrrolo[2,3-b] pyridine, 5-(trifluoromethyl)-
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
trifluoromethylpyrrolobpyridine
1H-Pyrrolo[2,3-b]pyridine, 5-(trifluoromethyl)-
PubChem23231
KHAGHXUTEFDDOD-UHFFFAOYSA-N
SBB090365
FCH853233
VP11355

MDL Number

MFCD06659680

FAQ

What is 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9)?

5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9) is a heterocyclic compound with a pyrrolo[2,3-b]pyridine structure featuring a trifluoromethyl group attached to the 5 position. It has the molecular formula C9H5F3N2 and is known for its unique electronic properties and potential in medicinal chemistry.

What are the main uses of 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9)?

5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9) is primarily used in the pharmaceutical industry as a medicinal intermediate for developing anti-inflammatory and antiviral drugs. It also finds applications in organic synthesis and as a building block for designing new chemical entities.

Is 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9) safe?

Caution is advised when handling 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9). It is not classified as a hazardous substance under standard industrial safety regulations. However, it should be used in a well-ventilated area, and appropriate personal protective equipment should be worn to prevent skin contact and inhalation. Avoid exposure to heat and fire sources to prevent combustion or decomposition.

How should 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9) be stored?

5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS: 1036027-54-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include a temperature range of 20-25°C and a relative humidity of 40-60%. Ensure proper labeling and maintain good inventory management practices to avoid misuse or accidental exposure.