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5-Azaindole(CAS No. 271-34-1)

5-Azaindole C7H6N2 (cas 271-34-1) Molecular Structure

271-34-1 Structure

Identification and Related Records

【Name】
5-Azaindole
【CAS Registry number】
271-34-1
【Synonyms】
5-23-06-00304 (Beilstein Handbook Reference)
1H-Pyrrolo[3,2-c]pyridine
4,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene
1H-Pyrrolo(3,2-c)pyridine
3,7-Dideazapurine
1,5-Diazaindene
【Molecular Formula】
C7H6N2 (Products with the same molecular formula)
【Molecular Weight】
118.13594
【Inchi】
InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
【InChIKey】
SRSKXJVMVSSSHB-UHFFFAOYSA-N
【Canonical SMILES】
C1=CNC2=C1C=NC=C2
【MOL File】
271-34-1.mol

Chemical and Physical Properties

【Appearance】
off-white to yellowish crystalline powder
【Density】
1.242 g/cm3
【Melting Point】
104.6-108.4°C
【Boiling Point】
295.8 °C at 760 mmHg
【Vapour】
0.003mmHg at 25°C
【Refractive Index】
1.697
【Flash Point】
137.4 °C
【Water】
hardly soluble in water, but soluble in methanol and chloroform
【Solubilities】
hardly soluble in water, but soluble in methanol and chloroform
【HS Code】
29339980
【Computed Properties】
Molecular Weight:118.13594 [g/mol]
Molecular Formula:C7H6N2
XLogP3-AA:1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:118.053098
MonoIsotopic Mass:118.053098
Topological Polar Surface Area:28.7
Heavy Atom Count:9
Formal Charge:0
Complexity:103
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37/39
【Hazard Note】

Irritant

【Safety】

Safety Information of 5-Azaindole (CAS No.271-34-1):
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39?
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.
Hazard Note: Irritant

【Specification】

? 5-Azaindole (CAS No.271-34-1), it also can be called 1H-Pyrrolo[3,2-c]pyridin ; Pyrrolo(3,2-c)pyridine ; 1,5-Diazaindene ; 1H-Pyrrolo(3,2-c)pyridine ; 3,7-Dideazapurine .

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