6-Bromo-4-azaindole - CAS 944937-53-5

Name: 6-Bromo-4-azaindole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041389
Product Name:	6-Bromo-4-azaindole
CAS:	944937-53-5
Synonyms:	6-bromo-1H-pyrrolo[3,2-b]pyridine; 6-bromo-1H-pyrrolo[3,2-b]pyridine

Technical Data

IUPAC Name:	6-bromo-1H-pyrrolo[3,2-b]pyridine
Description:	6-Bromo-4-azaindole (CAS# 944937-53-5) is used in the preparation of benzofuran and pyridine compounds in the treatment of viral diseases, respiratory illnesses, inflammatory diseases.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CNC2=CC(=CN=C21)Br
InChI:	InChI=1S/C7H5BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
InChI Key:	OJFFFCVPCVATIV-UHFFFAOYSA-N
Boiling Point:	311.3 °C at 760 mmHg
Density:	1.77 g/cm³
Appearance:	Cream to brown powder
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD09266227
LogP:	2.32540

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8