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Home> Encyclopedia > Hot Product Listed 7   > 7-Azaindole
271-63-6 structure

7-Azaindole

Iupac Name:1H-pyrrolo[2,3-b]pyridine
CAS No.:271-63-6
EINECS(EC#): 205-981-0
Molecular Weight:118.13594
Molecular Formula:C7H6N2 (isomer)
Names and Identifiers
Synonyms

1,7-Dideazapurine 2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene 7-Aza-1-pyrindine 7-Azaindole 98% 7-Azaindole,1H-Pyrrolo[2,3-b]pyridine 7H-Pyrrolo(2,3-b)pyridine 7H-Pyrrolo[2, 3-b]pyridine

Inchi
InChI=1/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
InChkey
MVXVYAKCVDQRLW-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(NC=C2)N=C1
Properties
Appearance
brown-cyrstalline solid
Density
270
Melting Point
103-107℃
Boiling Point
270℃
Vapour
0.0094mmHg at 25°C
Refractive Index
1.696?
Flash Point
124.8 °C
Solubility
Very soluble
Stability
Stable under normal temperatures and pressures.
HS Code
29339990
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36
Safety Statements
S26;S39
Safety

Hazard Codes:?IrritantXi,?HarmfulXn
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?

Toxicity

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.

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.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:118.13594g/mol
  • Molecular Formula:C7H6N2
  • XLogP3-AA:1.8
  • Exact Mass:118.053098
  • Monoisotopic Mass:118.053098
  • Complexity:103
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:28.7
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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