4-Bromo-1-methylindole - CAS 590417-55-3

Catalog:	BB030250
Product Name:	4-Bromo-1-methylindole
CAS:	590417-55-3
Synonyms:	4-bromo-1-methylindole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1-methylindole
Description:	4-Bromo-1-methylindole (CAS# 590417-55-3) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CN1C=CC2=C1C=CC=C2Br
InChI:	InChI=1S/C9H8BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,1H3
InChI Key:	JZOSXTYDJPHXQD-UHFFFAOYSA-N
Boiling Point:	300.878 °C at 760 mmHg
Density:	1.472 g/cm³
Appearance:	Liquid
MDL:	MFCD08435875
LogP:	2.94080

Publication Number	Title	Priority Date
CN-111909074-A	Method for preparing indole compound by air oxidation catalyzed by N-hydroxyphthalimide	20200731
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087190-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

PMID	Publication Date	Title	Journal
15815992	20050606	Palladium(0)-catalyzed tandem cyclization of allenenes: direct construction of tricyclic heterocycles through aromatic C--H activation	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

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[20538-12-9]
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[1477-50-5]
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[2124-55-2]
Indole-4-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.98401
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7