5-Bromo-2-methylindole - CAS 1075-34-9

Catalog:	BB002098
Product Name:	5-Bromo-2-methylindole
CAS:	1075-34-9
Synonyms:	5-bromo-2-methyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methyl-1H-indole
Description:	5-Bromo-2-methylindole (CAS# 1075-34-9) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=CC2=C(N1)C=CC(=C2)Br
InChI:	InChI=1S/C9H8BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChI Key:	BJUZAZKEDCDGRW-UHFFFAOYSA-N
Boiling Point:	325.1 °C at 760 mmHg
Melting Point:	104-107 °C (lit.)
Purity:	95 %
Density:	1.563 g/cm³
MDL:	MFCD01863677
LogP:	3.23880

Publication Number	Title	Priority Date
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
US-2020060952-A1	Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof	20180824
WO-2019183358-A2	Whole cell processes to produce nitroaromatics	20180321
US-2021108237-A1	Whole cell processes to produce nitroaromatics	20180321
CN-108017557-B	Cyanidation method for preparing nitrile compound	20171206

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7