5-Bromo-1-methylindole - CAS 10075-52-2

Catalog:	BB000328
Product Name:	5-Bromo-1-methylindole
CAS:	10075-52-2
Synonyms:	5-bromo-1-methylindole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1-methylindole
Description:	5-Bromo-1-methylindole (CAS# 10075-52-2) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CN1C=CC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
InChI Key:	SBOITLSQLQGSLO-UHFFFAOYSA-N
Boiling Point:	300.9 °C at 760 mmHg
Melting Point:	43-44 °C
Purity:	95 %
Density:	1.47 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00159857
LogP:	2.94080

Publication Number	Title	Priority Date
CN-111909074-A	Method for preparing indole compound by air oxidation catalyzed by N-hydroxyphthalimide	20200731
KR-20210098735-A	Novel enantioenriched bisindolylmethane sulfamate derivatives and the compositions for treating neuropathy comprising thereof	20200203
WO-2021105117-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
WO-2020240272-A1	Preparation of novel 1 h-pyrazolo[4,3-d]pyrimidines, their compositions, synthesis and methods of using them for treating tuberculosis	20190531
CN-110041340-A	6- aryl-benzofuran and carbazole compound and preparation and application	20190528

PMID	Publication Date	Title	Journal
15549801	20041126	Improved synthesis of aryltrialkoxysilanes via treatment of aryl Grignard or lithium reagents with tetraalkyl orthosilicates	The Journal of organic chemistry

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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

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4