CAS 23612-48-8 2-Methyl-7-azaindole (HCID 583066)

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Basic information

CAS: 23612-48-8
Standard SMILES: Cc1cc2cccnc2[nH]1
InChIKey: XDHFUUVUHNOJEW-UHFFFAOYSA-N
Molecular formula: C8H8N2
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.06874826

Names & identifiers

Preferred name: 2-Methyl-7-azaindole
IUPAC: 2-methyl-1H-pyrrolo[2,3-b]pyridine
English name: 1H-PYRROLO[2,3-B]PYRIDINE, 2-METHYL-
Molecular formula: C8H8N2
Molecular weight: 132.16

Names & synonyms

2-Methyl-7-azaindole23612-48-8DTXSID60342574RefChem:475832DTXCID20293654812-605-42-Methyl-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 2-methyl-MFCD086695242-Methyl-pyrrolo[2,3-b]pyridineCS-D0723AKOS006289038

Show more names

SW-79SWF-792-Methyl-7-aza-1H-indole2-Methyl-7-azaindole 98%2-Methyl-7-azaindole ,99%2-Methyl-7-azaindole ,98.5%2-Methyl-7-azaindole, 98.5%, 98.5%2-METHYL-1H-PYRROLO[2,3-B]-PYRIDINE

PB17562DS-10606SY033763EN300-86267Z1198180660FT-0647558A816800SCHEMBL12333

Database identifiers

CAS: 23612-48-8
PubChem CID: 583066
DTXSID: DTXSID60342574
EC Number: 812-605-4
Nikkaji: J119.270A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 136 · 136-142℃
Density: 1.17 · 1.17
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 14.45 · 14.45±0.40(Predicted)
color: Brown
CAS DataBase Reference: 23612 · 23612-48-8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.