5-Bromo-3-methylindole - CAS 10075-48-6

Catalog:	BB000326
Product Name:	5-Bromo-3-methylindole
CAS:	10075-48-6
Synonyms:	5-bromo-3-methyl-1H-indole

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Computed Properties

IUPAC Name:	5-bromo-3-methyl-1H-indole
Description:	5-Bromo-3-methylindole (CAS# 10075-48-6) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=CNC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C9H8BrN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChI Key:	GDQXDVJFMLNXHX-UHFFFAOYSA-N
Boiling Point:	325.1 °C at 760 mmHg
Purity:	95 %
Density:	1.563 g/cm³
Appearance:	Solid
Storage:	2-8 °C
MDL:	MFCD04038746
LogP:	3.23880

Publication Number	Title	Priority Date
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
WO-2021067801-A1	Compounds and compositions for treating conditions associated with sting activity	20191003
TW-202005967-A	Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase	20180705
US-2021000841-A1	Compounds that modulate von willebrand factor levels and their use in the treatment of blood disorders	20180214
WO-2019099336-A1	Substituted indole compounds	20171114

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Related Functional Groups

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3