Basic information
- Name:
7-Azaindole
- CAS No.:
271-63-6
- Molecular Structure:
- Formula:
- C7H6N2
- Molecular Weight:
- 118.14
- Synonyms:
- 1,7-Dideazapurine;7H-Pyrrolo(2,3-b)pyridine;7-Aza-1-pyrindine;2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene;7H-Pyrrolo[2, 3-b]pyridine;7-Azaindole 98%;7-Azaindole,1H-Pyrrolo[2,3-b]pyridine;
- EINECS:
- 205-981-0
- Density:
- 1.242 g/cm3
- Melting Point:
- 105-107 °C(lit.)
- Boiling Point:
- 273.8 °C at 760 mmHg
- Flash Point:
- 124.8 °C
- Appearance:
- brown-cyrstalline solid
- Hazard Symbols:
Xi,
Xn- Risk Codes:
- 36-41-37/38-22
- Safety Description:
- 39-26-36/37/39 Details
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Chemistry
Molecule structure of 7-Azaindole (CAS NO.271-63-6):
IUPAC Name: 1H-Pyrrolo[2,3-b]pyridine
Molecular Weight: 118.13594 g/mol
Molecular Formula: C7H6N2
Density: 1.242 g/cm3
Melting Point: 105-107 °C(lit.)
Boiling Point: 273.8 °C at 760 mmHg
Flash Point: 124.8 °C
Index of Refraction: 1.696
Molar Refractivity: 36.61 cm3
Molar Volume: 95 cm3
Polarizability: 14.51×10-24 cm3
Surface Tension: 60.1 dyne/cm
Enthalpy of Vaporization: 49.15 kJ/mol
Vapour Pressure: 0.0094 mmHg at 25 °C
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 118.053098
MonoIsotopic Mass: 118.053098
Topological Polar Surface Area: 28.7
Heavy Atom Count: 9
Canonical SMILES: C1=CC2=C(NC=C2)N=C1
InChI: InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
InChIKey: MVXVYAKCVDQRLW-UHFFFAOYSA-N
EINECS: 205-981-0
Product Categories: blocks; IndolesOxindoles; Heterocycles; Heterocycles series; Indole; Heterocyclic Compounds; Indole Series; Indole Derivatives; Pharmaceutical intermediate
Uses
7-Azaindole (CAS NO.271-63-6) is used for organic synthetic reagent.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 490mg/kg (490mg/kg) | Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963. |
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 36-41-37/38-22
R36:Irritating to eyes.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 39-26-36/37/39
S39:Wear eye / face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
RTECS: UY8710000
HazardClass: IRRITANT
HS Code: 29339990
Specification
7-Azaindole (CAS NO.271-63-6) is also named as 1,7-Diazaindene ; 1,7-Dideazapurine ; 7-Aza-1-pyrindine ; 7H-Pyrrolo(2,3-b)pyridine ; NSC 67063 ; 1H-Pyrrolo(2,3-b)pyridine . 7-Azaindole (CAS NO.271-63-6) is brown-cyrstalline solid.
